data_2m9v_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 2m9v _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.796 0.331 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -117.93 157.2 49.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -55.07 136.31 72.52 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.701 1.601 . . . . 0.0 111.174 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -150.32 -28.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.89 -49.94 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.72 -57.21 12.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.61 79.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.6 tp -61.67 -46.6 89.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.29 -31.39 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.54 -42.82 86.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -73.86 -15.28 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -71.38 138.61 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.161 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.88 -22.34 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 -173.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.5 pt -130.76 158.71 74.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.01 155.55 54.86 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.715 1.61 . . . . 0.0 111.182 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.3 t -76.96 129.25 35.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.227 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.58 155.98 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -99.78 171.34 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.73 -31.76 69.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -68.52 -40.64 80.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.92 -40.38 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -68.74 -33.11 73.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.33 -43.45 81.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.0 mt -137.78 73.14 47.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.226 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.53 -26.13 14.38 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.717 1.611 . . . . 0.0 111.224 -177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -80.23 -4.41 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.0 mmm -113.78 10.03 17.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -112.66 107.59 54.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.88 -36.03 90.51 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.706 1.604 . . . . 0.0 111.234 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.9 m -53.01 -37.91 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.233 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -84.62 -43.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.23 -37.84 81.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 -172.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.7 p -90.49 0.18 57.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -122.29 98.31 44.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.85 -25.04 41.38 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.665 1.576 . . . . 0.0 111.205 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.1 m -59.4 -27.15 65.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -175.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -81.4 -16.83 51.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -87.55 136.61 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 -176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.86 159.63 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -124.23 142.18 51.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.7 mt -94.38 128.94 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.2 p -107.72 -28.19 9.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -179.97 147.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -110.9 160.34 16.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -108.0 -61.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.248 -175.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -169.96 177.79 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 -171.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.29 129.89 65.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 49.7 t -148.16 139.96 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.227 -175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 58.1 35.04 24.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.217 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 64.98 21.0 12.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -122.74 138.74 54.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -94.72 131.92 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.214 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 138' ' ' HIS . 96.9 m-85 -114.35 114.84 26.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.65 -178.76 5.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.6 t -125.99 131.61 52.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 pt -130.74 164.67 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.436 ' HB3' ' HG3' ' A' ' 90' ' ' GLN . 15.2 ptm180 -151.2 -175.87 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -138.91 -150.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 172.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.6 m -66.08 -20.19 66.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.2 p -106.84 -108.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.216 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -98.59 173.5 6.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -163.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.436 ' HG3' ' HB3' ' A' ' 85' ' ' ARG . 30.2 tt0 -115.76 144.9 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 -173.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.8 tt -147.27 148.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.79 152.3 43.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.8 p -137.94 137.57 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -116.55 129.83 56.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -102.24 117.39 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.223 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 79.6 p -64.22 163.03 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -174.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -55.6 -40.14 71.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.2 -46.05 91.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 174.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.4 t -56.62 -48.34 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.73 -50.13 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -56.89 -50.0 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.76 -46.88 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.205 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.99 -45.66 71.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -40.96 95.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.16 -39.07 91.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.5 m -73.75 -50.04 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.8 m-70 -102.62 -9.15 20.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -167.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 54.87 40.13 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 28.8 p -161.64 176.12 11.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.249 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.02 158.72 17.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.83 -17.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 76.6 p -101.64 4.25 40.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.2 m -70.23 84.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 46.23 60.02 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.0 p -112.47 2.74 16.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.235 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.9 p -78.38 -5.48 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -171.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -124.14 19.94 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.64 168.42 9.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.17 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.2 tp -107.69 124.13 49.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.1 ptm -110.06 158.56 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -169.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.0 mm -126.7 132.35 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 173.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.3 154.4 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.56 154.55 25.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.4 t0 52.75 45.79 28.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.163 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -107.68 152.51 24.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.0 164.83 23.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 153' ' ' PRO . 59.4 tp -108.76 129.77 55.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.9 139.52 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -96.09 137.0 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.1 m -125.55 161.26 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.4 p -97.6 178.0 5.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -57.02 -55.74 30.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.5 p -59.53 -33.49 71.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 57.0 mmm-85 -66.21 -51.82 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.5 -30.17 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.199 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 66.4 ttp -70.03 -39.94 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.228 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 96.0 p -85.58 -22.57 27.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.406 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . 68.5 m-70 -103.27 -63.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -176.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -80.09 -9.41 59.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 69.18 30.85 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 141' ' ' ILE . 6.8 tp -149.13 120.02 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.9 t -65.25 143.38 57.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.2 -20.38 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.6 p -58.79 -23.16 59.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -174.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -99.98 -11.83 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.6 pt -137.82 32.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.2 p -162.61 164.72 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 176.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.0 p -104.18 -10.63 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 170.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -129.89 154.82 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -77.18 -15.27 59.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.9 mt -122.71 121.65 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.9 m -132.78 151.74 78.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.408 ' HB2' HD11 ' A' ' 127' ' ' LEU . 78.8 Cg_endo -75.86 144.63 27.74 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.648 1.566 . . . . 0.0 111.211 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 79.4 t -136.95 142.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.74 127.55 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -108.38 110.73 22.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.64 133.53 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 -170.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -106.37 -29.74 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.227 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -119.88 132.67 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -149.31 143.89 26.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.1 t -150.06 138.28 20.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 94.2 mt -125.67 127.6 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.186 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.88 145.7 51.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -76.96 71.85 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 96.6 mt -101.42 -58.66 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -115.88 118.18 32.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.22 130.93 49.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.26 140.89 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.791 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . 0.431 ' HB2' ' H ' ' A' ' 90' ' ' GLN . 97.5 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.795 0.331 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.52 -33.85 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 178' ' ' TYR . 5.7 m-30 -86.95 -8.34 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -97.9 -29.47 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.224 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -119.93 36.75 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 -177.774 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.893 0.378 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -70.01 157.58 89.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.179 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.1 141.52 57.64 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.657 1.571 . . . . 0.0 111.232 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -139.66 -16.09 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 93.8 mt -75.84 -34.24 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.197 171.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.66 -39.97 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 169.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.93 84.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.195 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 22' ' ' ILE . 90.0 mt -62.17 -44.14 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.01 -47.63 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.99 -47.03 86.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.23 -36.9 81.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.192 -178.803 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.516 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -66.17 137.79 57.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.174 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.7 m -121.82 -13.06 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 89.1 mt -118.94 129.8 25.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 172.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 95.7 Cg_exo -53.07 151.03 22.3 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 121.734 1.623 . . . . 0.0 111.157 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.0 t -64.38 136.58 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.217 -173.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.542 ' HB2' ' HA3' ' A' ' 123' ' ' GLY . 9.7 tp -85.4 140.07 31.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.21 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.8 p -101.89 170.26 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.95 -36.51 84.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.76 -37.63 88.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.71 -45.85 92.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.25 -48.5 78.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.167 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.18 68.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.5 mt -135.98 77.09 50.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -173.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -68.96 -26.14 31.7 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.657 1.572 . . . . 0.0 111.213 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -84.05 -3.69 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.2 mmm -110.21 14.07 22.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 t -117.69 107.58 44.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -53.91 -35.52 80.37 Favored 'Trans proline' 0 C--N 1.328 -0.535 0 C-N-CA 121.734 1.623 . . . . 0.0 111.206 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.2 m -54.56 -36.12 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.7 mt -83.78 -44.15 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.255 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.38 -31.1 70.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.189 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.7 p -102.47 10.83 38.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -130.94 113.35 16.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.64 -17.85 42.76 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.651 1.567 . . . . 0.0 111.175 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.5 m -64.54 -19.32 65.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -96.66 14.98 23.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.172 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.22 136.92 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.96 144.49 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -110.45 109.0 19.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.5 mt -75.31 123.09 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -97.38 -20.45 17.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -170.06 141.4 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.268 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.18 144.19 27.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 167.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -101.06 -59.74 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -170.4 170.23 7.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 -177.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.68 114.49 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.0 140.0 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 54.89 34.61 22.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.219 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 64.05 25.73 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.06 125.14 47.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.53 134.55 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -117.75 121.85 41.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.51 -177.81 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -175.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -127.88 139.83 52.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.2 pt -130.91 148.52 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.47 ' HB3' ' HG3' ' A' ' 90' ' ' GLN . 53.3 ptt85 -130.11 160.03 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.215 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -112.34 -141.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 167.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.0 m -101.22 17.5 22.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.193 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 t -139.13 -64.43 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -129.32 168.48 16.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.244 -172.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.47 ' HG3' ' HB3' ' A' ' 85' ' ' ARG . 62.8 tt0 -125.0 139.08 54.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -176.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.0 pt -132.05 174.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.9 mt -92.43 156.56 17.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.206 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.53 142.54 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -132.06 142.14 49.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -114.95 128.27 56.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 73.9 p -65.9 162.48 18.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -55.5 -40.03 71.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.237 174.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.95 -42.58 94.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 96' ' ' SER . 43.2 t -55.32 -52.21 64.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 175.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.99 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.6 m -56.58 -50.09 72.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -63.43 -45.37 91.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.213 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -54.96 -48.8 72.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.03 -42.9 79.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.65 -39.2 93.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.22 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -70.91 -49.63 43.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.246 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.415 ' NE2' ' OG1' ' A' ' 161' ' ' THR . 98.6 m-70 -99.73 -9.58 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -168.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 54.43 42.67 31.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.168 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.8 p -155.52 167.06 31.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.67 165.49 20.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.9 tp -65.48 -20.0 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.3 p -96.7 -9.68 28.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.1 t -96.6 124.13 40.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 60.04 37.81 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.6 p -124.61 -19.54 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.0 m -60.06 -41.54 92.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.5 p-10 -98.71 21.01 11.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 72.1 m -129.5 170.12 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.2 mt -100.48 138.71 37.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.251 172.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.0 tpp -85.35 129.15 34.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.235 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 43.1 mm -105.45 101.37 12.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.0 mt -98.81 137.28 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.542 ' HA3' ' HB2' ' A' ' 45' ' ' LEU . . . -147.63 170.59 28.35 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.8 t0 41.25 67.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.239 -171.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.74 145.22 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -124.83 150.02 46.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 49.4 tp -101.13 129.69 47.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.217 -174.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.1 177.22 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -127.6 139.37 52.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.58 160.1 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.1 p -91.74 176.75 6.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.255 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -50.1 -56.46 10.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 172.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.6 p -66.98 -35.95 81.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -59.99 -48.17 82.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.04 85.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 67.1 ttp -55.92 -39.86 72.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.233 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.0 t -75.94 -55.62 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -75.01 -50.01 17.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 -171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -97.05 -1.89 44.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.211 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt 66.34 30.05 9.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.5 tt -152.33 119.94 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 94.4 p -70.35 160.23 32.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.02 -36.86 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.198 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 80.8 p -75.72 -10.1 59.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.156 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -104.6 -0.84 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.252 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 47.2 pt -122.85 -18.73 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.8 p -148.25 177.49 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 98.6 p -91.17 0.47 57.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -119.61 150.25 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -116.42 -11.44 11.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 81.8 mt -88.97 96.95 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -120.88 131.5 24.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.36 144.01 32.17 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.7 1.6 . . . . 0.0 111.222 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 84.7 t -134.69 131.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 48.6 tp -93.76 110.62 22.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -88.0 114.12 24.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 81.1 t -107.41 125.93 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 -170.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -87.81 -41.59 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -133.47 143.51 48.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.246 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.88 20.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.415 ' OG1' ' NE2' ' A' ' 107' ' ' HIS . 14.4 t -139.11 -170.37 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 173.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 6.4 tp -140.62 146.66 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 -173.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -158.96 140.58 13.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.22 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -77.33 111.42 12.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -173.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 86.0 mt -131.58 -50.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -143.07 117.14 9.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.224 -173.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 66.0 tt0 -57.24 133.48 55.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.213 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 67.7 t -104.28 130.14 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.239 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -177.893 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.807 0.337 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.06 -49.72 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -68.6 -20.09 64.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -74.55 -35.9 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -120.43 33.37 5.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 40.9 tp . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -178.106 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.801 0.334 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -64.66 159.0 65.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.239 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.71 130.22 36.07 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.713 1.609 . . . . 0.0 111.185 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -137.35 -21.5 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.26 -40.99 88.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.07 -53.71 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.254 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.93 -40.06 75.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tt -56.92 -59.97 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.269 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.6 pt -73.95 -20.1 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -77.49 -51.39 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.79 -30.56 70.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 179.74 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -124.29 156.59 36.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 111.184 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.42 -45.93 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.218 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.17 123.24 49.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -56.37 150.86 48.01 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.748 1.632 . . . . 0.0 111.147 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.8 t -70.97 143.29 50.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.422 ' HG ' ' HA3' ' A' ' 123' ' ' GLY . 91.1 mt -78.18 135.98 37.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.222 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.3 p -84.62 173.59 10.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.242 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.15 -44.38 79.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -65.6 -40.71 92.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.83 -47.04 86.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.88 -42.44 81.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.98 66.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 mt -134.21 79.67 55.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -57.92 -36.73 97.99 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.723 1.615 . . . . 0.0 111.228 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -77.5 -8.14 57.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.9 mmm -105.06 16.37 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.211 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -123.11 92.72 48.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HA ' ' HB3' ' A' ' 60' ' ' LEU . 79.4 Cg_exo -53.86 -31.9 64.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.667 1.578 . . . . 0.0 111.254 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -54.43 -34.39 61.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.7 pt -109.68 -20.0 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.474 ' HB3' ' HA ' ' A' ' 57' ' ' PRO . 61.1 tp -68.35 -38.56 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.9 p -94.94 17.04 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -129.87 101.84 18.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -55.48 -27.96 61.81 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.671 1.581 . . . . 0.0 111.205 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.4 m -55.69 -29.94 60.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.475 ' HB3' HG23 ' A' ' 121' ' ' ILE . 36.7 m-70 -80.15 -18.03 50.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 -176.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -91.49 140.38 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 -173.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -151.29 159.94 44.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -150.02 124.02 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.9 mt -82.29 125.91 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.275 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.4 p -95.24 -23.11 17.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.238 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -167.42 140.06 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.05 147.25 25.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -119.92 -48.13 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -141.41 104.2 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -172.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.95 120.65 53.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.221 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . 80.7 m -127.58 -170.09 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.44 89.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 -176.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 64.19 15.1 9.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 76' ' ' CYS . 99.7 mttt -125.58 100.09 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.9 t -115.58 127.28 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -167.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -107.24 120.76 43.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 174.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.57 -177.12 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -125.76 139.18 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.4 pt -125.75 170.86 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -156.69 164.62 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -117.98 -149.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 171.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.2 m -78.42 -1.5 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 -171.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t -147.41 -61.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -89.88 169.91 10.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.215 -170.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -145.84 150.24 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 tt -157.13 146.73 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 -170.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.58 151.82 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 p -135.28 140.03 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -120.4 119.51 33.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -96.74 117.07 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.1 p -71.33 164.51 25.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.227 -171.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -50.23 -47.14 55.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.21 -45.66 92.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.223 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 46.1 t -54.91 -59.57 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.7 -40.3 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -172.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.2 t -59.86 -50.64 73.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.222 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -66.66 -40.66 88.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -55.0 -44.6 74.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -67.73 -41.48 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.261 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -56.89 -43.75 81.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.1 m -72.97 -51.5 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -103.91 5.83 35.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 -168.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 58.89 29.88 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.4 p -168.57 147.89 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -80.75 171.1 15.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.97 -17.38 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.193 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.5 p -84.74 -15.67 44.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.7 t -107.02 136.07 47.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 59.98 41.45 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.514 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 76.3 p -131.48 -10.13 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.5 m -52.7 -48.7 66.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -172.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -120.97 37.04 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.514 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 60.7 m -125.83 170.36 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.261 -175.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.43 123.95 45.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.8 ptp -112.82 160.23 18.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 -173.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.475 HG23 ' HB3' ' A' ' 65' ' ' HIS . 67.3 mt -117.83 139.1 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 169.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 47.1 pt -120.63 165.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.422 ' HA3' ' HG ' ' A' ' 45' ' ' LEU . . . -161.17 172.26 37.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.0 t0 55.0 45.55 26.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 156' ' ' ASN . . . -115.66 138.93 50.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.183 -170.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -124.31 151.65 44.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.214 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 62.8 tp -89.1 127.0 35.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.4 p -139.74 139.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.242 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -102.51 134.0 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.17 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.8 m -124.85 164.91 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.291 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 82.5 p -96.86 164.38 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.281 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -50.0 -43.13 50.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.8 p -55.98 -37.62 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.47 -37.82 56.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.196 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.42 72.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.239 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 79.5 mtm -81.35 -41.17 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.6 p -83.08 -28.71 29.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -170.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -110.97 -48.84 3.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -90.23 -8.32 51.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.252 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 57.9 38.09 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 141' ' ' ILE . 16.6 tt -150.03 119.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 177.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.5 t -71.35 141.77 50.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 82.2 mt -81.34 -15.11 56.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 82.9 p -76.66 -10.07 59.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -98.63 13.18 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.1 tt -144.29 -29.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.4 p -150.08 -179.57 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 88.0 p -101.26 14.0 33.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 171.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -89.17 150.63 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.205 -174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -99.48 -7.72 25.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.24 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -130.06 167.26 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.7 p -153.54 133.61 7.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.218 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.28 140.21 40.19 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.716 1.61 . . . . 0.0 111.234 175.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.26 140.16 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 47.4 tp -95.17 116.11 28.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.273 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 125' ' ' ALA . 43.0 t30 -97.44 111.46 23.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 86.9 t -103.55 142.36 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -170.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.66 -23.88 4.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -122.22 142.93 49.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 172.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.14 153.07 30.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.189 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.8 t -160.03 161.06 33.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 98.7 mt -88.51 129.32 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -100.14 -49.94 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.239 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -162.49 179.39 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 43.3 pt -100.13 35.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.221 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -79.57 110.82 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -75.57 135.78 40.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.261 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 92.0 t -120.81 144.16 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -175.183 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.765 0.316 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.37 -20.05 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -70.0 -23.14 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.279 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -74.5 -7.21 52.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -99.35 0.13 42.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 -178.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.855 0.359 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -110.81 150.0 41.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.93 138.96 83.77 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.787 1.658 . . . . 0.0 111.187 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -139.94 -24.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.8 mt -69.38 -46.78 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.181 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -55.32 -55.93 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.89 79.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.227 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.2 tp -56.71 -56.95 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.9 pt -75.94 -18.5 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 -171.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -73.2 -42.47 62.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -67.42 -28.22 67.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.212 177.684 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -64.33 133.65 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.4 t -118.4 -57.58 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 mp -106.15 121.51 45.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.197 -174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -55.19 155.01 20.79 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.691 1.594 . . . . 0.0 111.229 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -70.32 148.39 48.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 84.2 mt -110.02 158.69 17.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.3 p -105.84 177.07 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.78 -42.33 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.67 -39.59 88.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 71.0 m-20 -64.95 -42.73 94.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.63 -34.26 67.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.08 -43.28 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.234 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.2 mt -135.12 76.9 56.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -57.43 -38.28 94.79 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.676 1.584 . . . . 0.0 111.186 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -75.3 -10.06 59.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.4 mmm -99.86 2.41 43.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -113.36 108.6 52.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -53.56 -37.76 83.19 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.69 1.594 . . . . 0.0 111.284 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.7 m -52.49 -37.57 57.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.255 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.8 -48.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.62 -40.05 92.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -167.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.3 p -88.88 -5.03 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -169.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -120.09 117.37 32.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -68.64 -14.85 40.34 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.691 1.594 . . . . 0.0 111.19 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 95.6 m -63.57 -20.75 65.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -94.64 0.28 54.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.186 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -106.57 144.65 32.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.255 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.85 156.14 40.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -124.19 94.99 4.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 mm -65.67 130.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.184 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.0 p -100.54 -28.35 12.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -173.39 147.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -97.69 129.91 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 170.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -90.16 -56.29 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.168 -169.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -164.17 172.62 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.0 t -129.61 128.88 66.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.448 ' SG ' ' HE2' ' A' ' 140' ' ' LYS . 51.0 t -150.12 143.34 25.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -177.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 62.49 30.29 17.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 64.07 23.15 13.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.25 148.16 49.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.81 129.16 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -172.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -113.23 123.12 49.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 -173.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.59 -179.29 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 -173.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.0 m -122.43 138.96 54.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.243 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -113.98 134.53 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -105.43 134.56 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.251 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -116.79 -159.86 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p -61.18 -26.85 67.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.4 t -121.61 -67.22 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -123.73 -178.26 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -167.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -106.03 154.86 20.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 tt -139.85 140.1 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 175.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.7 144.46 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.1 p -135.02 140.09 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -119.85 117.57 28.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -94.17 123.44 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 72.6 p -69.46 165.81 20.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -174.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -58.35 -41.85 85.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.218 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.13 -35.43 78.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.8 t -56.27 -52.63 63.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 174.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.12 -43.82 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.222 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -56.6 -50.05 73.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.39 -45.64 90.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.211 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -51.55 -46.69 63.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.46 -39.99 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.89 -36.32 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.1 m -76.94 -53.19 8.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.441 ' NE2' ' OG1' ' A' ' 161' ' ' THR . 92.8 m-70 -101.36 -3.26 29.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -167.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.23 41.56 31.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.6 p -160.74 170.97 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.43 155.26 38.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 13.8 tt -67.87 -13.98 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 66.6 p -92.45 -5.15 52.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.0 t -99.38 126.19 45.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 59.91 41.28 18.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.9 p -128.11 -9.77 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.8 p -98.64 -20.8 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 171.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -95.95 1.36 52.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 58.1 m -133.9 172.48 12.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 98.5 mt -87.4 140.32 29.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.2 tpp -96.29 131.24 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.252 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.6 mm -104.35 130.36 55.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 97.2 mt -101.47 137.27 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.276 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.2 149.71 20.62 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 173.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.4 t0 44.32 73.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.338 . . . . 0.0 111.224 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -131.33 136.68 48.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -115.61 146.74 41.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 53.9 tp -83.01 126.63 32.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.86 138.08 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -93.51 126.05 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.266 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.49 132.49 62.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 72.7 p -87.48 166.08 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -50.65 -45.28 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.6 t -57.07 -51.59 68.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.24 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -68.54 -29.93 68.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.25 77.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.21 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.9 mtm -78.63 -30.22 46.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.266 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 73.3 m -82.65 -37.13 25.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -110.32 -52.81 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -171.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.88 -19.05 60.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.448 ' HE2' ' SG ' ' A' ' 76' ' ' CYS . 74.1 mmtt 64.83 34.17 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.0 tt -159.58 127.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.9 t -63.76 144.96 56.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.32 -17.57 60.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 87.3 p -74.41 -8.9 57.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.08 -9.86 32.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.7 pt -126.42 -17.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.4 p -147.46 -179.99 7.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.225 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.8 p -100.57 9.56 42.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 172.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.52 154.51 25.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.174 -174.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -97.7 9.95 41.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.0 tt -156.51 129.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.18 153.63 78.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.76 140.0 37.96 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.703 1.602 . . . . 0.0 111.191 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 89.2 t -132.52 140.2 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 91.8 mt -89.64 112.13 23.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -93.39 100.61 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.9 t -101.76 124.02 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.211 -169.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -99.96 -20.01 16.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -136.31 142.3 43.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -148.68 151.42 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.257 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.441 ' OG1' ' NE2' ' A' ' 107' ' ' HIS . 13.4 t -159.33 -179.7 8.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.202 174.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 97.2 mt -103.68 136.66 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -91.0 -67.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.204 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -158.46 160.38 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.6 mt -77.47 79.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -174.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -117.38 107.25 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.259 169.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -60.0 139.98 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -171.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 91.3 t -112.24 140.13 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.541 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.611 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.764 0.316 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 35.5 m -74.87 5.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.237 -172.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -56.37 -24.61 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -67.87 -16.8 64.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -109.99 11.67 23.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--O 1.201 -1.47 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -178.695 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.757 0.313 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -106.99 154.05 40.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.62 142.1 90.82 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.696 1.597 . . . . 0.0 111.246 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -141.04 -20.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 176.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.85 -40.67 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -53.65 -59.83 4.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.256 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.57 94.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.41 -51.21 63.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.278 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.5 mm -83.26 -35.45 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -174.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.38 -40.06 77.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.9 -11.2 59.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 -178.719 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 96.9 m-70 -80.05 142.9 34.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.174 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.51 -15.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.203 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.9 mt -113.74 127.58 26.67 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -53.05 145.34 42.45 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.736 1.624 . . . . 0.0 111.237 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.4 p -76.45 159.93 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.9 mt -117.34 158.21 24.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 177.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.6 p -110.36 175.99 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 176.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.25 -40.83 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.41 -38.19 90.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -69.41 -38.0 77.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.2 -39.54 86.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.99 -43.33 71.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.65 70.47 79.27 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -175.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.33 -25.64 30.38 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.669 1.579 . . . . 0.0 111.204 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -80.06 -4.92 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.6 mmm -110.23 13.04 23.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -113.92 109.16 50.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -55.16 -32.39 79.91 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.664 1.576 . . . . 0.0 111.253 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.4 p -66.37 -20.05 65.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.266 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -97.6 -40.11 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.73 -39.71 94.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.252 -173.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.0 p -114.95 37.26 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -172.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -143.7 109.89 5.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.257 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -55.2 -30.2 70.28 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.738 1.625 . . . . 0.0 111.19 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.02 -15.71 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.189 -175.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -99.84 26.82 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.208 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -136.45 129.12 30.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.201 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.98 159.17 44.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.176 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -115.45 129.99 56.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.7 mt -79.74 134.06 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.4 p -107.74 -42.57 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.179 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -176.17 145.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.459 ' CD2' ' HB3' ' A' ' 82' ' ' ALA . 88.1 m-85 -99.67 146.99 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.197 172.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.96 -47.23 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -132.3 100.56 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.251 -174.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.1 t -104.44 112.29 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -177.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 76.6 m -129.69 159.91 34.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.223 175.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -53.13 105.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.403 ' HB3' ' HG3' ' A' ' 97' ' ' GLN . 87.3 m-85 60.3 38.87 19.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 88.4 tttt -165.95 86.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.224 176.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.9 t -119.94 137.53 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -170.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.62 131.92 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.459 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . . . -145.46 -177.33 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.185 -174.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.2 t -121.85 142.16 50.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 175.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.4 pt -137.83 166.68 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.468 ' HB3' ' HG3' ' A' ' 90' ' ' GLN . 9.2 ptm180 -148.51 159.76 43.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.141 175.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -103.77 -141.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.2 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.7 m -91.81 9.62 31.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.6 t -143.45 -68.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -111.98 166.83 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 -166.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.468 ' HG3' ' HB3' ' A' ' 85' ' ' ARG . 65.0 tt0 -124.2 138.87 54.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 -174.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.6 pt -137.68 178.88 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.2 mt -106.06 157.08 17.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 172.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.53 139.86 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -106.36 135.83 47.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.147 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.401 ' HD1' ' SG ' ' A' ' 99' ' ' CYS . 93.7 m-85 -103.25 111.14 23.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 174.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.3 p -72.28 165.98 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HG3' ' HB3' ' A' ' 78' ' ' TYR . 63.7 tt0 -55.92 -40.92 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.24 174.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.24 -43.14 98.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.276 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.401 ' SG ' ' HD1' ' A' ' 95' ' ' PHE . 43.5 t -58.08 -55.42 35.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.31 -41.19 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -62.4 -51.25 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.47 -44.86 93.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.02 -41.38 71.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 174.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.09 -41.1 86.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.82 -41.16 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.2 m -74.16 -47.96 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.272 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -104.01 -4.47 23.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -168.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.01 42.28 31.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.191 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.13 172.37 14.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -80.04 152.94 29.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.2 tp -60.5 -19.98 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.2 p -97.54 -16.35 20.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.6 t -57.79 97.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -168.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 53.56 42.39 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.439 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 81.4 p -109.6 -6.28 15.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.257 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.9 m -55.28 -36.1 65.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.247 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.411 ' HA ' ' HB ' ' A' ' 168' ' ' VAL . 53.4 p-10 -112.08 28.09 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 70.8 m -116.48 170.7 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.1 mt -99.78 153.67 18.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 58.9 ttp -131.47 139.99 49.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -170.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 95.5 mt -105.95 114.45 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 172.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 95.4 mt -93.08 134.79 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.19 148.55 19.97 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.0 t0 51.29 70.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.151 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.24 113.46 25.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 11.1 t0 -82.14 123.56 29.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 60.4 tp -88.37 121.73 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.6 m -139.65 143.4 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -91.53 131.57 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.222 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.86 159.99 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.4 p -90.09 164.64 14.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.17 -173.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -49.96 -41.7 47.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.4 t -55.78 -50.16 71.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.0 mmt180 -61.14 -38.08 85.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.29 79.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 99.0 mtp -82.31 -33.18 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.4 t -70.21 -48.97 54.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.231 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -108.86 -46.81 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -80.52 -19.46 45.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 64.12 39.92 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 141' ' ' ILE . 16.7 tt -148.65 120.06 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.5 t -66.53 134.67 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.44 -20.0 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 87.7 p -58.86 -24.17 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.188 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.04 20.73 17.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.596 ' O ' HG12 ' A' ' 146' ' ' ILE . 21.3 tt -169.35 30.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -177.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.7 p -160.94 169.58 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.262 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 88.1 p -110.22 -10.1 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 169.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -132.56 159.98 37.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -83.36 -2.4 55.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.3 -174.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.47 124.77 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -133.58 149.85 73.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 -171.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.47 141.73 16.0 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 121.729 1.619 . . . . 0.0 111.18 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.32 160.02 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.265 172.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.9 mt -109.8 122.6 47.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.261 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -91.88 103.62 16.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 171.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.4 t -94.75 131.8 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -169.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -105.39 -24.11 12.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -126.96 135.39 50.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -157.6 139.0 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 81.0 p -124.92 155.43 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 162.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 82.8 mt -135.06 130.01 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -134.71 152.59 51.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -96.66 40.14 1.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.204 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 98.0 mt -58.1 -42.21 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -134.91 117.11 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.19 129.92 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -176.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.411 ' HB ' ' HA ' ' A' ' 117' ' ' ASN . 85.7 t -91.33 139.88 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.474 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.863 0.363 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.98 -13.28 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -72.28 -13.45 61.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -80.72 -27.29 36.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -117.68 43.46 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 -167.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -177.551 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.773 0.321 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -119.4 159.41 45.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.72 121.71 9.67 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.756 1.637 . . . . 0.0 111.125 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -140.24 -24.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.6 mt -65.52 -40.71 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -63.09 -54.44 37.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.34 79.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -53.75 -56.68 15.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -83.1 -27.52 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 -175.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.36 -39.99 77.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 174.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -88.16 -11.51 46.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 178.531 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.48 145.17 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.327 . . . . 0.0 111.231 -172.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -94.98 -49.88 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.8 pt -127.79 156.1 76.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.49 155.04 22.27 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.753 1.635 . . . . 0.0 111.183 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.4 t -76.4 127.88 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.6 mt -87.77 156.6 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.6 p -108.07 177.61 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.23 -35.31 73.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.176 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -67.22 -37.88 84.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -69.12 -39.35 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.05 -32.73 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.37 -41.12 66.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 175.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.9 mt -133.94 70.64 74.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 -175.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.7 -25.08 34.3 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.69 1.593 . . . . 0.0 111.242 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -80.03 -4.23 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.238 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.5 mmm -110.07 14.92 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.6 t -122.74 102.65 38.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -55.33 -32.27 80.54 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.709 1.606 . . . . 0.0 111.189 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.8 p -63.41 -23.7 67.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.226 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 121' ' ' ILE . 89.2 mt -91.03 -46.21 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.191 172.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.06 -38.12 81.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.291 -171.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.6 p -101.84 25.52 8.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.25 -170.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.453 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 58.0 t-20 -146.35 106.5 4.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -56.26 -24.8 52.82 Favored 'Trans proline' 0 C--N 1.327 -0.553 0 C-N-CA 121.769 1.646 . . . . 0.0 111.174 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.453 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 71.9 m -71.9 -8.53 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -172.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -96.7 2.95 52.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.78 139.91 45.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.58 137.18 31.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -118.74 107.8 14.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.645 ' N ' HD13 ' A' ' 69' ' ' ILE . 1.3 mp -78.25 122.33 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -174.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -92.83 -22.44 19.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -171.43 139.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -93.02 134.61 34.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 164.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -111.76 -41.83 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -173.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -140.68 100.52 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.19 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.2 t -108.56 115.69 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . 86.7 m -130.04 -175.61 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -57.76 95.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.464 ' HB3' ' HA ' ' A' ' 97' ' ' GLN . 18.1 m-30 60.25 30.13 19.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 76' ' ' CYS . 93.6 mttt -140.04 90.08 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -108.41 129.03 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -119.77 121.32 38.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.48 -171.67 3.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -174.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.2 p -134.64 147.13 50.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 171.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.4 pt -127.25 146.46 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.237 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 -133.59 120.05 20.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -83.24 -149.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.211 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.5 m -88.11 9.99 20.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -137.1 -70.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -120.88 153.85 36.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 -165.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -103.7 145.02 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.5 tt -141.23 145.48 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.36 146.42 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.57 138.42 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -177.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -120.05 130.52 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -104.57 125.44 50.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 64.7 p -72.24 168.37 18.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -171.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 66.9 tt0 -56.99 -46.41 82.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 174.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.06 -40.03 95.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.8 t -55.35 -58.28 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.18 -36.6 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 t -58.86 -50.05 75.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.12 -46.72 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -51.76 -45.5 63.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.81 -47.03 82.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.26 -37.06 85.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.5 m -70.09 -50.03 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.435 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 96.8 m-70 -102.17 -8.69 21.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.222 -168.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 49.89 47.0 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 24.9 p -159.72 176.88 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.01 162.69 16.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.5 tp -64.04 -19.96 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 63.3 p -97.62 -16.75 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.4 m -56.1 95.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -169.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.424 ' O ' ' SG ' ' A' ' 118' ' ' CYS . 96.7 mt-10 51.76 40.72 28.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 80.7 p -102.0 -5.98 23.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 91.5 m -56.1 -39.78 72.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -109.03 26.32 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 114' ' ' GLU . 72.3 m -116.43 169.93 8.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.22 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.471 ' HB3' ' HB ' ' A' ' 165' ' ' ILE . 55.1 tp -113.94 124.92 53.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.182 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.459 ' SD ' HD12 ' A' ' 69' ' ' ILE . 55.5 ttm -85.57 141.39 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.406 HG21 HD11 ' A' ' 59' ' ' ILE . 43.8 mm -109.78 124.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.221 166.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.4 pt -113.4 152.8 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -172.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.61 162.49 30.76 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 45.1 t0 48.85 71.14 0.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 111.252 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.32 134.59 52.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -105.67 135.17 47.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.8 120.83 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.409 HG21 ' HB ' ' A' ' 154' ' ' VAL . 27.9 m -138.32 -162.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.242 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -154.01 164.97 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.4 p -136.63 140.06 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.7 p -85.33 170.02 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.289 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -52.48 -59.65 4.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 m -63.73 -42.67 97.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.201 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 61.8 ttt85 -62.87 -43.27 99.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.52 69.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 97.3 mtp -72.28 -26.34 61.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.8 p -96.67 -20.04 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -109.53 -53.76 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.22 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 73.8 m-85 -89.21 -18.73 26.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 86.8 mttt 69.39 31.35 3.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 -172.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 89.2 mt -131.06 121.41 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 44.2 t -75.66 133.22 40.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 166.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 85.6 mt -101.83 -37.89 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -169.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 90.4 p -74.13 -10.41 59.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -109.56 5.05 22.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.3 pt -127.49 -20.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.218 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.4 p -134.54 179.99 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 67.0 m -85.84 -4.56 59.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -118.49 134.16 55.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -75.4 -11.81 60.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 174.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 97.4 mt -124.02 137.4 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.1 t -128.51 133.27 24.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -65.27 145.52 83.99 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.583 1.522 . . . . 0.0 111.268 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.409 ' HB ' HG21 ' A' ' 128' ' ' VAL . 79.1 t -130.39 143.35 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 -176.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 87.4 mt -96.71 117.5 31.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -92.11 98.47 11.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 88.0 t -94.69 123.76 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.24 -170.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -99.95 -20.04 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -130.02 136.11 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 174.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -152.51 145.87 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.413 ' O ' HG21 ' A' ' 161' ' ' THR . 15.2 t -156.7 128.67 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.233 176.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 91.4 mt -109.75 129.57 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -169.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.33 149.96 52.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -75.13 74.98 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.197 -178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.471 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 87.8 mt -102.92 -50.37 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 -178.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -138.87 119.01 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -173.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -59.69 140.91 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 67.3 t -92.18 140.89 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.544 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.806 0.336 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.85 -23.19 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -59.04 -23.32 61.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.29 -19.4 54.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.125 -172.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -127.09 65.08 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -174.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.84 0.352 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -67.81 157.18 87.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -63.94 143.18 84.65 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.727 1.618 . . . . 0.0 111.233 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -141.04 -23.93 0.75 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.223 -176.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.12 -55.87 18.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.98 -39.93 72.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.13 75.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.63 -30.34 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.46 -49.93 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -61.21 -40.21 93.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.225 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.26 -25.7 67.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.225 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.219 -177.833 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -69.66 138.7 53.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 111.194 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.44 -19.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 -177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.437 ' HB ' ' HB1' ' A' ' 125' ' ' ALA . 83.8 mt -120.03 115.23 33.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 171.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -55.51 155.41 21.17 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.698 1.599 . . . . 0.0 111.165 -176.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.8 p -76.33 159.14 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt -109.87 149.46 29.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 p -80.81 173.99 12.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -55.73 -44.7 77.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.81 -41.9 86.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.72 -40.88 98.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.35 -33.18 71.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.52 -45.83 91.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.217 176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.7 mt -139.38 75.69 32.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.232 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -59.14 -35.53 97.62 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.716 1.611 . . . . 0.0 111.219 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -81.66 -0.17 41.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 96.4 mmm -114.77 8.54 16.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -106.74 112.55 63.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -55.12 -36.19 92.43 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.714 1.61 . . . . 0.0 111.265 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.5 p -65.21 -22.84 66.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.3 mt -90.47 -43.88 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.238 173.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.51 -30.29 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.21 -172.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 73.5 p -98.28 15.69 23.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 47.4 t-20 -140.16 111.21 7.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.18 -15.4 31.87 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.693 1.595 . . . . 0.0 111.222 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.401 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 92.2 m -65.3 -23.13 66.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -88.04 -1.85 58.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -109.58 156.01 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.32 156.81 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -127.81 103.51 7.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.8 mt -71.83 128.66 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.21 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.1 p -106.01 -27.24 11.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -175.27 140.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.241 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -102.76 159.97 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.466 ' O ' ' HB3' ' A' ' 74' ' ' ASN . 98.4 m-85 -106.82 -55.59 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.23 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 73' ' ' TYR . 17.3 p30 -179.61 -171.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -171.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.96 156.88 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 41.9 t -162.71 137.49 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.237 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 55.33 37.31 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 65.51 22.89 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -117.04 155.0 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.6 t -108.91 133.99 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -120.97 120.43 35.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.14 -175.86 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.239 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.496 ' HG ' HD21 ' A' ' 92' ' ' LEU . 22.4 m -122.29 140.19 52.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.202 174.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.6 pt -125.0 170.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 176.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -153.14 170.63 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -132.79 -149.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.8 m -57.84 -28.75 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -98.91 -109.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -110.88 -174.44 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 -167.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -94.9 165.75 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -173.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.1 tt -160.0 144.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.496 HD21 ' HG ' ' A' ' 83' ' ' SER . 90.0 mt -66.8 145.58 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.3 p -135.96 148.45 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.19 139.84 39.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.232 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -111.08 126.35 54.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 59.5 p -63.89 161.91 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -173.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -56.26 -41.07 75.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.09 -39.9 90.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 96' ' ' SER . 39.5 t -58.19 -46.82 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.52 -49.67 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.4 m -56.39 -50.28 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.177 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.62 -49.23 71.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -52.44 -45.71 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.95 -40.36 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.71 -39.04 92.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.5 m -73.34 -50.05 24.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -104.62 -4.49 22.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -168.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.83 41.09 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.0 p -159.32 166.88 30.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -88.66 159.51 17.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.581 ' O ' HG22 ' A' ' 111' ' ' ILE . 97.4 mt -78.48 -5.77 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -178.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 81.3 p -100.93 -6.28 24.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 174.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.4 t -101.27 108.35 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -174.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 59.74 43.66 15.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 173.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.5 p -113.34 -12.31 13.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.0 p -81.54 -10.91 59.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -170.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -124.21 20.02 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 77.4 m -126.81 165.11 19.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 60.3 tp -95.26 120.86 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 92.1 mmm -90.86 149.1 22.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.199 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 77.1 mt -126.63 111.44 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.242 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.0 pt -114.04 160.02 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 -170.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -155.37 165.06 32.26 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.1 t0 53.18 54.78 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.163 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' A' ' 42' ' ' ILE . . . -115.83 138.05 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -114.49 134.39 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.6 tp -86.15 122.5 30.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 32.9 m -130.19 173.01 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -120.81 132.79 55.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 93.1 t -118.53 136.04 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.0 p -81.95 168.55 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.27 -40.41 86.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 99.8 p -70.08 -39.65 75.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.268 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.59 -29.85 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.222 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.83 -16.85 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 99.2 mtp -88.91 -25.64 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 92.8 p -92.02 -19.91 21.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.2 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -102.56 -65.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -89.57 -18.27 26.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 87.5 mttt 64.98 36.91 7.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.6 tt -151.46 128.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.4 t -59.96 143.24 52.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.247 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.57 -3.69 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.8 p -66.34 -19.78 65.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 170.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -103.69 9.74 37.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.277 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.4 mm -119.62 -40.65 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.8 p -143.98 -177.66 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.223 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.2 p -88.3 -0.35 57.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.72 -179.97 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -98.12 32.25 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.159 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 151' ' ' ILE . 16.2 tt -145.8 121.38 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.96 130.2 18.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.65 144.39 44.27 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.748 1.632 . . . . 0.0 111.21 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 62.7 t -133.47 141.01 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 155' ' ' LEU . 4.2 mm? -89.95 112.52 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -92.43 99.55 12.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 99.4 t -92.19 140.19 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -171.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -114.71 -31.34 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -120.68 136.93 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 172.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -150.39 135.25 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 64.7 p -131.22 169.11 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 166.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.16 134.52 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -139.35 145.27 38.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -82.01 67.77 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 94.8 mt -100.25 -48.3 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.272 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -134.4 111.36 10.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.44 130.28 46.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.64 139.16 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.206 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.466 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.352 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.817 0.341 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.77 -21.69 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -65.0 -17.09 64.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.51 -16.7 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -96.63 -2.94 43.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.203 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.214 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.837 0.351 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.84 156.81 72.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.61 130.17 32.5 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.698 1.599 . . . . 0.0 111.213 178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.478 ' CE3' ' HB3' ' A' ' 64' ' ' CYS . 8.8 t90 -142.58 -35.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.03 -42.49 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.92 -43.68 94.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.72 95.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.15 -37.02 85.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.234 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.77 -48.14 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.241 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.25 -39.47 79.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.51 -22.63 67.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.243 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -178.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.548 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -64.09 125.67 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 0.0 111.187 -175.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -110.13 -58.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.6 mt -107.54 129.4 24.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.229 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -53.51 149.24 31.5 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.7 1.6 . . . . 0.0 111.165 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -76.57 139.58 40.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.5 mt -102.28 148.74 25.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.268 173.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.8 p -88.73 173.97 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.26 -42.15 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.235 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.87 -41.01 88.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -68.36 -42.93 78.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.6 -39.92 73.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.06 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.9 mt -130.91 71.44 82.4 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.34 -28.36 33.22 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -76.47 -7.72 55.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.242 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.4 mmm -104.79 16.21 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -133.78 82.58 49.75 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.206 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 88.7 Cg_exo -53.86 -31.22 61.5 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.776 1.651 . . . . 0.0 111.184 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.3 m -51.27 -40.46 58.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 pt -101.48 -18.45 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.257 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 86.2 mt -66.13 -23.71 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 173.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.5 p -96.82 6.35 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.477 ' HB3' ' SG ' ' A' ' 64' ' ' CYS . 96.8 m-20 -115.09 105.56 52.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 41.6 Cg_endo -69.2 -14.14 37.34 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.753 1.636 . . . . 0.0 111.152 -175.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.478 ' HB3' ' CE3' ' A' ' 21' ' ' TRP . 32.0 p -66.4 -16.87 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -102.65 5.21 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -109.96 132.39 54.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.68 142.65 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -110.29 120.14 41.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.1 mt -83.94 129.97 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -109.71 -34.31 6.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.215 -171.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -169.96 143.2 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 96.7 m-85 -100.11 147.34 25.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 168.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -105.44 -57.63 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -170.99 164.82 7.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -174.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.5 t -122.86 92.85 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.4 m -103.66 145.09 30.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 56.75 35.42 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 61.66 23.63 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.95 141.43 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.462 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 92.5 t -92.88 133.27 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.244 -175.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -119.85 121.54 39.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.232 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.443 ' HB3' ' CD1' ' A' ' 72' ' ' PHE . . . -144.97 -174.57 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 -172.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.4 t -128.4 138.68 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.236 173.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.9 pt -129.53 168.73 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -145.19 160.01 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -110.16 -142.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.212 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.3 m -87.71 5.59 39.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -174.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t -146.67 -63.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.204 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -108.91 167.24 10.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -165.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -125.64 144.66 50.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.268 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.1 tt -149.69 150.14 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -175.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.6 152.49 42.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 p -138.3 141.22 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -111.28 153.35 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 171.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.462 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 88.8 m-85 -123.15 118.18 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.226 171.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.5 p -66.07 164.05 16.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.284 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -58.61 -37.51 76.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.249 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.16 -42.0 94.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 48.8 t -59.67 -45.43 92.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.33 -52.75 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.232 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.5 m -57.64 -49.93 74.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.214 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.77 -46.18 90.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -56.71 -42.83 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.85 -40.7 91.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.232 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.31 -39.68 95.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.3 m -73.03 -49.33 29.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -104.05 -4.72 22.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -167.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.24 37.12 28.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 30.9 p -163.09 168.26 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.93 157.16 26.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.55 -27.66 43.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.4 p -85.16 -14.0 48.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 t -86.41 113.32 22.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -170.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.05 46.22 11.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 173.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.538 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 42.1 p -137.8 0.21 2.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.255 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.8 m -57.94 -29.87 65.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -125.69 22.07 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.538 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 90.3 m -102.43 173.61 6.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -175.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.1 tp -102.41 121.6 42.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 48.4 ttp -89.95 129.98 36.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.4 mm -101.33 107.74 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 168.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.62 139.96 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -164.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -115.9 -124.45 3.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -49.99 117.04 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 111.203 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.46 144.49 27.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.21 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -118.12 164.36 15.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 53.0 tp -93.89 126.73 39.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.13 124.95 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -84.34 137.47 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.262 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 20.9 m -123.98 151.2 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 50.2 p -86.86 167.52 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -51.13 -43.5 61.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.3 t -59.16 -49.61 77.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.89 -34.46 77.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.91 -39.34 79.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 79.0 mtm -74.12 -28.29 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.0 t -75.23 -59.88 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -89.9 -43.4 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -91.99 -20.26 21.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.224 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 65.63 31.78 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 31.7 mm -129.97 118.9 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 t -67.48 134.36 51.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.233 174.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 78.1 mt -79.89 -23.64 41.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.275 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.6 p -63.81 -19.81 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.264 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -97.36 -9.58 27.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.255 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.4 pt -129.97 -5.39 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 33.4 t -152.95 154.66 35.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 96.6 p -86.42 -4.05 59.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.92 157.11 27.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.249 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -96.1 16.24 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.85 127.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.5 m -134.21 152.88 79.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 -171.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.86 139.9 22.61 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.697 1.598 . . . . 0.0 111.201 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 96.0 t -132.44 139.85 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.187 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 49.7 tp -87.27 111.64 21.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -96.19 116.11 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.5 t -91.03 130.0 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.251 -172.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -101.45 -42.37 6.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -132.09 131.87 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -170.53 150.23 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 46.7 p -128.72 159.91 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.204 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 74.5 mt -127.47 130.99 70.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -174.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -130.13 150.45 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -80.85 68.02 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 95.6 mt -101.8 -51.97 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.294 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -123.73 117.94 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -64.52 129.83 41.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 55.6 t -109.3 143.68 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.254 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -178.282 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.805 0.336 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.46 -31.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.231 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 178' ' ' TYR . 4.5 m-30 -80.74 -16.96 52.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.226 -178.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.33 -36.82 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -176.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -110.44 23.18 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 -179.437 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.872 0.368 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -99.09 159.22 30.73 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -55.48 149.32 48.16 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.738 1.625 . . . . 0.0 111.148 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -129.26 -40.37 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.22 -43.41 88.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.55 -35.7 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.35 -17.92 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.58 -18.44 62.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -51.01 -39.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.97 -33.9 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -97.01 -21.25 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 -178.139 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -72.7 139.42 47.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.0 m -127.75 -15.92 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.251 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.427 ' HB ' ' HB1' ' A' ' 125' ' ' ALA . 86.4 mt -123.97 119.04 26.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.278 172.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.94 157.1 13.78 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.797 1.665 . . . . 0.0 111.225 -177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -74.06 133.99 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.215 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -108.18 162.56 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.214 172.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.8 p -118.7 170.79 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -50.26 -39.9 46.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.33 -27.14 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.219 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -82.95 -41.71 18.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 159' ' ' GLN . 94.8 mt -68.98 -33.15 73.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.91 98.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 mt -136.82 75.94 48.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -58.45 -35.27 98.88 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.625 1.55 . . . . 0.0 111.234 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -75.92 -9.51 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.4 mmm -99.87 2.6 43.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 26.6 t -113.06 107.61 54.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.248 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 56' ' ' SER . 60.1 Cg_endo -65.83 -26.83 51.98 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.65 1.567 . . . . 0.0 111.242 175.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 m -59.38 -42.02 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.9 mt -74.65 -47.75 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.6 -38.95 93.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -169.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 p -92.12 3.97 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -171.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -126.38 109.02 23.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.82 -23.0 31.89 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.801 1.667 . . . . 0.0 111.134 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.5 m -48.31 -36.29 13.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.193 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -99.48 15.54 26.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -114.23 132.87 55.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.245 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.8 139.9 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -112.11 113.74 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.286 174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.13 134.48 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.6 p -113.32 -36.91 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -169.93 149.61 3.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 96.3 m-85 -108.86 150.06 28.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 169.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -104.41 -59.09 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -169.97 178.84 3.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.95 112.14 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.206 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.77 144.17 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 55.9 34.95 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.176 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 63.7 24.35 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -125.16 140.37 52.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.5 t -95.66 130.81 43.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.241 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -114.64 117.01 29.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB3' ' CD1' ' A' ' 72' ' ' PHE . . . -144.78 179.55 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.212 -170.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.8 m -128.43 146.88 50.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 172.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.5 pt -131.27 169.67 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.511 ' HD2' ' O ' ' A' ' 88' ' ' SER . 61.7 ttp85 -139.97 164.86 28.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 173.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -119.09 -138.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.225 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -63.98 -26.95 68.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 49.9 p -137.03 -89.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 -173.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -81.5 162.05 23.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -162.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -101.13 163.5 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.8 tt -153.78 148.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.8 mt -83.2 146.31 28.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -130.07 136.62 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -121.31 124.55 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.225 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -93.88 124.37 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.207 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.6 p -66.7 160.01 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -174.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -56.16 -39.93 73.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.47 -44.61 93.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 96' ' ' SER . 49.0 t -55.11 -50.98 67.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.51 -50.38 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -56.32 -49.88 73.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.2 -47.09 78.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -52.69 -44.11 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.276 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.74 -24.95 66.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.79 -38.8 22.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.23 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 79.0 p -85.09 -24.41 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -174.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.465 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 54.8 m80 -109.96 -10.78 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.215 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 56.88 32.19 21.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 29.9 p -163.44 166.15 23.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.27 156.15 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.39 -25.57 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.4 p -83.31 -16.43 46.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.5 t -92.69 114.17 26.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -170.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 61.38 50.19 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.233 171.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 68.9 p -130.5 -9.81 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.9 m -57.69 -41.85 82.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.278 -171.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -106.81 24.71 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.6 m -115.26 165.01 13.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.22 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.9 tp -91.93 133.59 35.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 52.3 ttp -110.68 132.47 54.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.7 119.96 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 91.0 mt -103.14 142.96 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.252 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.11 156.76 26.2 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 46.4 t0 44.79 73.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 111.235 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.427 ' HB1' ' HB ' ' A' ' 42' ' ' ILE . . . -134.8 139.22 44.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -131.25 153.57 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.8 mt -88.57 135.32 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.12 139.44 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.247 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -82.22 121.54 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -169.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.1 139.88 40.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.2 p -83.97 162.96 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -174.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -51.89 -47.06 64.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.1 t -57.61 -48.76 78.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.87 -30.11 70.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.41 -37.13 77.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.6 mtp -69.85 -39.28 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.3 t -72.59 -51.32 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -98.98 -49.57 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -167.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -77.73 -16.73 58.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 65.41 33.16 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.223 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 141' ' ' ILE . 19.5 tt -159.25 125.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.0 t -64.55 145.97 55.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.8 mt -75.71 -6.14 49.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.234 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 95.0 p -66.68 -19.28 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 171.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.45 10.73 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 176.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.9 mm -119.86 -49.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 77.1 p -152.33 -169.87 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.0 p -91.35 -0.85 57.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -100.36 160.03 14.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -109.99 -2.06 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.9 mt -138.5 121.27 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.218 171.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.1 m -135.84 143.38 44.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 -171.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.06 121.39 5.34 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.759 1.639 . . . . 0.0 111.218 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.3 157.58 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 42.1 tp -89.43 111.52 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -91.58 109.98 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 94.0 t -104.24 131.13 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -169.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -99.94 -40.11 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 173.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . 0.471 ' HB3' HD11 ' A' ' 50' ' ' LEU . 13.1 mm100 -114.25 137.12 52.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -159.49 148.8 18.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.0 t -147.44 157.31 43.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.9 mm -125.91 130.14 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -131.04 139.85 50.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -94.68 15.62 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.23 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.43 -45.3 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -114.54 111.59 21.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.18 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -71.29 150.05 45.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -121.72 163.03 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.482 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -178.56 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.15 -15.96 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -65.14 -22.1 66.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.16 -5.14 29.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -110.02 11.08 24.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.142 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--O 1.201 -1.479 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 177.512 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.793 0.33 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -64.72 155.02 83.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 173.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.44 152.42 82.0 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.694 1.596 . . . . 0.0 111.23 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -142.4 -17.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.2 -39.83 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.92 -39.89 82.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.98 93.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.79 -43.54 97.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.27 -46.82 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.227 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -46.36 89.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.16 -39.22 89.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -178.69 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -63.02 134.25 55.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -120.9 -13.2 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.26 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.6 mt -117.37 130.27 24.77 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 173.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -53.18 147.08 36.49 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.697 1.598 . . . . 0.0 111.197 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.0 t -65.36 130.51 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 -176.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' HB2' ' HA3' ' A' ' 123' ' ' GLY . 10.4 tp -73.32 136.73 44.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 175.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.4 p -93.97 170.71 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.33 -37.9 88.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.46 -38.07 88.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -65.02 -44.42 89.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.406 HD12 ' HB ' ' A' ' 161' ' ' THR . 41.6 tp -55.11 -49.87 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 176.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.94 -49.34 68.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.7 mt -136.9 79.46 38.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.24 -173.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.44 -28.91 31.94 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.663 1.575 . . . . 0.0 111.282 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -82.01 -3.6 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.267 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.4 mmm -110.5 16.88 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.222 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -133.4 124.51 18.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -53.07 -30.11 48.13 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.247 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.4 m -52.32 -33.99 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.221 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 59' ' ' ILE . 3.7 mp -95.24 -46.7 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.81 -36.2 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.214 -167.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.0 p -105.67 12.41 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -126.81 106.48 22.77 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.35 -28.16 61.56 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.763 1.642 . . . . 0.0 111.154 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.61 -15.23 60.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -176.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -99.99 17.46 20.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -127.44 108.43 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.198 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.34 147.97 49.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.55 118.38 33.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.19 126.18 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.7 p -96.13 -29.14 14.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 -174.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -170.33 140.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.172 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -95.74 145.39 25.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -102.67 -55.02 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -174.9 164.02 3.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.22 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.26 117.22 50.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.245 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.92 138.61 50.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.176 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 55.04 35.87 25.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.206 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 63.09 28.07 15.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -122.53 122.88 39.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.0 t -83.34 134.09 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -120.71 121.74 38.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.72 -174.71 4.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.258 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.1 t -128.31 141.0 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.5 pt -131.88 156.3 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.51 ' HB3' ' HG3' ' A' ' 90' ' ' GLN . 34.4 ptt180 -139.65 160.21 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -112.23 -140.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.2 m -101.19 16.58 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.1 t -138.67 -65.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -128.07 174.44 9.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -172.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.51 ' HG3' ' HB3' ' A' ' 85' ' ' ARG . 62.0 tt0 -130.3 139.51 50.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.224 -176.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.1 pt -134.05 174.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.174 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.8 mt -90.08 156.54 18.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.203 169.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.5 p -139.85 145.39 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -135.35 143.67 46.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.431 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 88.8 m-85 -115.94 132.63 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -174.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 60.2 p -71.05 164.89 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.237 -176.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.89 -40.07 87.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.233 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.28 -42.96 99.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.9 t -56.24 -53.99 50.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.04 -42.48 95.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.255 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -50.48 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.213 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -63.39 -45.71 89.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.189 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.38 -52.16 64.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.173 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.62 -40.03 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.263 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -57.3 -46.72 82.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 83.4 m -75.26 -47.66 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 -175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -92.99 -10.03 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 -169.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 52.98 43.55 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.5 p -157.1 169.82 23.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -86.73 167.51 14.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.8 tp -66.01 -19.94 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 57.9 p -97.62 -9.62 26.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.7 t -96.29 123.21 39.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.236 -173.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 59.92 37.76 21.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.7 p -123.1 -18.21 6.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.192 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -61.46 -41.09 96.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.6 p-10 -98.33 20.87 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.94 169.83 14.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.26 140.91 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 172.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 56.8 tpp -89.14 130.17 35.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.83 113.19 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.2 mt -101.75 134.1 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 45' ' ' LEU . . . -145.49 164.49 28.06 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.2 t0 49.69 62.46 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 111.097 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.92 145.09 45.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 -169.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.3 150.08 48.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 59.9 tp -104.29 120.61 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.1 m -132.69 -174.85 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -127.28 143.17 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.05 156.74 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -95.11 176.26 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -51.49 -52.37 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.216 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.6 p -66.71 -35.97 81.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -176.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -65.67 -34.24 77.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.3 -35.95 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.3 mtp -64.91 -32.0 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 41.6 t -77.55 -58.05 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -84.89 -53.4 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -171.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -81.71 -15.24 55.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 65.41 32.8 9.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.4 tt -156.24 129.04 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.1 p -69.79 159.63 33.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 82.5 mt -103.69 -38.0 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 70.4 p -65.51 -19.32 65.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -101.98 -8.23 21.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.3 mm -120.01 -59.69 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -175.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 148' ' ' SER . 89.9 p -84.45 -19.94 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 147' ' ' SER . 19.6 m 67.78 17.23 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -174.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -123.27 152.96 40.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -79.23 -44.43 21.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 42.4 mm -109.75 128.44 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.22 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 76.3 t -132.48 133.62 23.83 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -61.85 140.19 84.06 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.734 1.623 . . . . 0.0 111.203 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 78.7 t -133.29 131.45 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.202 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 53.5 tp -93.32 114.42 26.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -91.53 120.01 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.198 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 80.6 t -115.86 118.84 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 -168.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -94.92 -23.17 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -135.27 139.95 44.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.203 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.09 152.76 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.406 ' HB ' HD12 ' A' ' 50' ' ' LEU . 14.0 t -148.78 -178.16 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.262 172.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 6.3 tp -143.11 140.7 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -169.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -153.58 140.15 18.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.257 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -72.51 110.45 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.206 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 91.3 mt -130.16 -49.52 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -151.15 121.68 7.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.26 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 65.8 tt0 -57.65 133.14 55.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 99.5 t -102.53 130.14 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.526 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 88.0 t -80.01 -44.83 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 172.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -65.88 -19.92 66.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.76 -32.92 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -119.4 26.77 9.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 52.3 tp . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -176.437 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.2 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -127.71 157.07 74.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -51.06 116.64 2.78 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.701 1.601 . . . . 0.0 111.207 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -133.75 -22.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.64 -38.24 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -55.08 -52.14 64.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 172.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.36 88.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 tp -53.25 -51.72 61.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.245 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.39 -50.27 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.244 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.75 -44.22 85.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -171.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.72 -16.82 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -174.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -178.28 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.585 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -48.54 135.22 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.422 HG21 HG13 ' A' ' 42' ' ' ILE . 33.4 m -100.0 -19.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -174.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.422 HG13 HG21 ' A' ' 41' ' ' VAL . 89.5 mt -120.35 117.31 31.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 171.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -54.57 154.88 18.55 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.747 1.632 . . . . 0.0 111.224 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -72.39 161.63 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -121.86 153.55 38.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.1 p -89.72 169.08 11.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.95 -39.93 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -69.61 -39.1 77.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.05 -50.02 74.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.202 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.5 mt -71.71 -30.07 65.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.5 mt -137.42 77.0 41.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.235 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -58.21 -37.77 93.98 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.697 1.598 . . . . 0.0 111.213 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -77.32 -10.12 59.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -174.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.6 mmm -101.09 -0.02 37.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -118.0 109.41 41.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -54.78 -32.16 75.46 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.695 1.597 . . . . 0.0 111.198 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 m -52.48 -33.18 43.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.9 mt -97.34 -49.33 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.2 tp -54.46 -47.17 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.214 -169.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.2 p -100.11 10.09 41.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.22 -168.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -123.65 107.25 31.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.39 -30.07 61.55 Favored 'Trans proline' 0 C--N 1.327 -0.589 0 C-N-CA 121.699 1.6 . . . . 0.0 111.236 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 96.6 m -68.95 -18.43 64.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -170.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -99.89 9.95 42.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -170.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -160.23 165.12 32.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 172.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.73 177.87 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 -173.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -110.94 142.85 42.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.252 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.4 mt -92.29 134.7 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -105.09 -37.35 6.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 179.63 143.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.465 ' CD2' ' HB3' ' A' ' 82' ' ' ALA . 84.0 m-85 -97.54 136.78 37.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 167.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -100.46 -57.35 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -170.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -160.01 159.69 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -170.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.1 t -131.93 127.39 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 29.7 p -158.71 159.67 35.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 55.12 31.05 15.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 66.19 20.5 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -138.81 160.01 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.79 141.85 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -164.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -117.96 123.6 46.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.465 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . . . -147.12 -174.42 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 -175.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 t -131.88 143.9 50.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 174.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.1 pt -130.53 168.41 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.189 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -145.0 160.34 41.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.195 -175.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -130.78 -152.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 170.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.1 m -65.62 -25.63 67.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.246 -174.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.4 p -100.1 -110.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -102.47 -170.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -111.49 179.32 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -170.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 tt -160.08 146.74 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 173.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.21 144.32 53.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.248 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -135.0 137.12 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -118.34 119.84 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -93.69 117.0 29.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 80.8 p -65.23 163.86 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -173.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -55.36 -40.03 70.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.75 -45.76 93.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 96' ' ' SER . 49.5 t -56.79 -47.7 79.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 177.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.26 -49.64 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.248 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.6 m -57.29 -50.32 73.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.05 -48.52 75.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -53.91 -45.58 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.6 -39.97 76.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.11 -36.98 86.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 78.0 m -69.95 -50.04 45.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -100.75 -6.22 25.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -170.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 54.78 40.42 31.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.237 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.4 p -161.48 170.0 20.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.36 144.08 33.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.2 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.7 tt -67.03 -19.9 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.206 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.9 p -86.78 -12.32 48.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 t -92.03 123.14 35.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 54.99 42.2 31.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 172.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.568 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 0.6 OUTLIER -149.94 9.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -179.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.8 p -69.83 -14.97 63.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -140.01 40.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 74.4 m -126.67 176.31 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -171.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 65.6 mt -95.39 142.09 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.2 ttp -131.32 141.43 49.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.192 -171.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 43.8 mm -103.26 133.82 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 168.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 37.5 pt -128.59 148.81 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -157.0 164.28 32.7 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.8 t0 48.96 77.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.263 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.25 149.93 40.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -174.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -129.9 172.8 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.6 tp -109.03 132.46 54.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.65 162.3 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -119.51 131.0 55.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.27 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.2 m -122.97 159.51 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 63.5 p -78.64 164.78 24.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 -172.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -50.02 -45.18 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 169.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.9 m -55.62 -47.63 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.86 -39.53 87.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.9 92.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.208 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.4 ttp -73.95 -40.35 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.3 t -69.04 -44.53 72.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 -174.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.61 -54.3 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.228 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 36.0 m-85 -78.11 -18.83 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 13.8 mmmm 74.57 20.13 2.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.229 176.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 40.5 mm -127.72 109.81 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.7 p -70.08 155.12 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 176.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.2 mt -105.44 -32.24 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -177.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 95.1 p -65.84 -19.88 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 -174.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.16 -7.73 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -171.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.9 pt -120.78 -25.25 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -173.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 148' ' ' SER . 93.5 p -148.9 -19.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 -174.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 147' ' ' SER . 48.2 m 65.75 40.16 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.236 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -109.24 179.89 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.206 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -109.84 -31.67 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.7 pt -134.8 160.33 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.87 134.93 19.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.281 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.47 140.14 43.02 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.673 1.582 . . . . 0.0 111.214 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 86.7 t -138.97 133.77 41.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 52.6 tp -88.95 117.87 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -97.62 111.96 24.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 98.5 t -109.93 132.49 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -169.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -101.82 -32.93 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -117.19 131.61 56.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -154.92 150.96 27.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.9 t -157.13 162.91 39.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 176.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 95.8 mt -80.05 135.57 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -100.1 -53.61 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -166.11 168.69 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 42.8 pt -103.52 27.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -175.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -59.8 124.68 20.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.13 117.26 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -171.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 92.5 t -98.44 139.55 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.473 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.183 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . 0.438 ' HA ' ' HB3' ' A' ' 179' ' ' LYS . 22.0 m-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.864 0.364 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.7 p -57.2 -20.14 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -110.36 -43.45 3.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.243 171.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 176' ' ' PHE . 62.8 tttp -60.39 -47.27 86.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.271 -171.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -115.99 36.88 3.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.199 -1.562 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 178.394 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -110.0 159.16 32.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 172.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.39 118.37 4.79 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.737 1.625 . . . . 0.0 111.122 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -134.03 -17.89 2.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.4 mt -68.72 -32.97 57.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -63.76 -42.94 97.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.236 172.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -29.91 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.192 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.459 HD23 HG22 ' A' ' 41' ' ' VAL . 97.0 mt -54.36 -43.5 71.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -95.12 -20.62 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.21 -175.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.9 -47.98 75.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.248 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.45 -19.83 55.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.237 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.191 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 90.4 m-70 -74.99 140.05 43.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 111.175 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG22 HD23 ' A' ' 25' ' ' LEU . 29.1 m -123.71 -19.08 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.208 -175.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.9 mm -108.96 122.32 40.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 172.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -54.08 150.43 31.61 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.738 1.625 . . . . 0.0 111.228 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 t -76.63 136.78 39.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -106.92 145.74 31.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.5 p -91.43 175.39 6.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.48 -41.44 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -67.13 -40.9 86.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.211 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.95 -42.56 85.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.58 -37.08 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.78 63.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.287 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.0 mt -131.31 69.88 82.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.22 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.26 -24.95 26.8 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.649 1.566 . . . . 0.0 111.194 -177.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -80.07 -6.01 56.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.4 mmm -109.41 8.55 25.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -117.91 106.38 45.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -55.61 -32.35 82.91 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.72 1.613 . . . . 0.0 111.164 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.9 p -67.18 -15.26 63.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.6 mt -99.85 -43.43 11.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 170.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.2 mt -57.77 -38.1 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 -173.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.2 p -103.97 17.41 24.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -129.72 105.13 17.11 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.209 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -54.38 -29.88 60.58 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.729 1.619 . . . . 0.0 111.18 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.5 m -57.56 -30.06 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -171.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -88.09 -8.09 56.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.259 -172.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -94.83 132.42 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.92 140.41 25.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 168' ' ' VAL . 87.9 mttt -119.92 111.72 18.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 174.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.8 131.08 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.8 p -106.01 -30.63 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -174.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -170.05 140.68 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.282 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -94.69 147.11 23.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 168.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -117.7 -37.93 3.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.18 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -150.11 92.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.8 t -90.77 117.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 81.5 m -134.64 164.74 26.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 75.0 m-20 -59.95 103.52 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.308 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 77' ' ' ASP . 61.6 m-85 70.5 17.96 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.239 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 98.4 mttt -149.34 69.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.2 t -97.62 131.63 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.502 ' HB3' ' CD2' ' A' ' 139' ' ' PHE . 96.6 m-85 -118.16 124.02 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.35 -168.71 3.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -174.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 p -132.11 146.01 51.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 172.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.14 154.87 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.611 ' NH2' ' O ' ' A' ' 88' ' ' SER . 64.3 ttt-85 -128.48 147.33 50.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -106.29 -146.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 168.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -59.99 -41.97 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.611 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 42.5 t -120.35 -54.54 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -165.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -111.8 165.54 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -165.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.441 ' H ' ' HB3' ' A' ' 176' ' ' PHE . 20.2 tt0 -125.29 145.91 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 177.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 tt -140.23 141.07 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.53 146.26 45.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.61 143.18 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -118.9 132.68 56.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.186 173.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.69 123.12 44.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 99' ' ' CYS . 59.3 p -70.68 164.16 25.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -46.23 -38.08 8.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.259 169.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.69 -52.23 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 157' ' ' VAL . 57.4 m -51.58 -50.56 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.13 -44.66 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.0 p -61.15 -33.9 74.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -61.37 -46.5 89.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.236 174.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -65.1 -29.86 70.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.168 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.9 -40.79 38.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.04 -58.79 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 93.1 m -72.34 -49.4 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -173.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.499 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 92.4 m-70 -90.01 -14.6 33.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.238 -174.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 48.42 47.16 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 27.6 p -158.46 175.9 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.194 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -79.97 154.53 28.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.236 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.02 -19.96 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.8 p -90.78 -12.54 36.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 t -90.0 140.26 29.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 52.1 53.69 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.3 m -124.93 -45.28 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.271 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.1 m -57.83 -45.95 85.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.197 -173.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -101.26 26.65 6.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.5 m -131.23 165.07 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.275 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.42 ' HB3' ' HB ' ' A' ' 165' ' ' ILE . 50.4 tp -113.96 129.91 56.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.209 -177.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 56.2 ttp -92.87 138.58 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.1 mm -116.38 125.86 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 171.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.9 pt -113.09 154.46 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 -171.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.84 155.37 26.17 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 48.5 t0 54.55 71.81 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.28 138.74 53.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 10.1 t0 -110.44 134.74 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.6 tp -89.0 127.41 35.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.36 177.68 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -130.0 139.98 50.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 174.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 24.2 m -125.22 154.68 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.215 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.6 p -92.6 168.8 10.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -49.98 -46.37 52.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.4 t -59.31 -50.05 75.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -59.99 -40.37 88.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.46 98.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.255 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.3 mtm -69.34 -30.05 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.7 p -85.7 -26.39 25.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 68.2 m170 -105.69 -63.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 81' ' ' TYR . 73.2 m-85 -79.91 -19.98 46.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.233 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 70.3 mmtt 70.03 35.21 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 141' ' ' ILE . 17.6 tt -149.7 124.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 178.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.2 t -65.08 142.52 58.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.56 -20.96 42.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 96.1 p -68.29 -13.78 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -95.08 -11.93 27.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.227 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.9 pt -131.45 6.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.9 t -159.57 152.7 22.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 94.7 p -81.5 -13.07 58.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -111.25 166.63 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.275 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -97.67 9.38 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -176.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -135.88 146.22 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 173.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.34 155.82 67.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.75 147.65 45.18 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.734 1.623 . . . . 0.0 111.177 173.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 87.0 t -138.24 137.31 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 37.3 tp -97.74 116.24 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -96.23 100.12 11.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.219 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.463 ' O ' ' SG ' ' A' ' 99' ' ' CYS . 75.7 t -94.1 126.28 46.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -170.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -85.12 -48.68 8.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -114.22 134.98 54.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.53 130.99 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.5 p -130.98 158.96 38.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 171.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 90.3 mt -129.85 127.91 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -131.5 154.12 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.223 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -73.8 72.48 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 92.6 mt -104.5 -42.06 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -158.13 125.6 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -64.76 156.2 31.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 68' ' ' LYS . 84.8 t -78.64 135.08 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . 0.441 ' HB3' ' H ' ' A' ' 90' ' ' GLN . 79.6 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.74 0.305 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.4 -20.14 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 -176.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -57.58 -25.6 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -73.08 -6.33 44.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -96.57 4.65 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.201 -1.493 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 177.479 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.714 0.292 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -70.42 156.1 92.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.242 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.36 142.45 54.72 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.709 1.606 . . . . 0.0 111.165 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -142.39 -22.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.192 -173.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.71 -50.05 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -55.75 -54.57 42.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.48 96.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.6 tp -61.89 -40.97 97.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 -175.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.21 -53.04 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -62.85 -40.46 97.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -173.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.05 -29.05 69.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 -175.569 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.527 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -77.01 160.98 28.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 111.207 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG21 HG13 ' A' ' 42' ' ' ILE . 27.1 m -115.06 -21.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.26 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.409 HG13 HG21 ' A' ' 41' ' ' VAL . 97.3 mt -120.3 120.97 29.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 173.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -55.02 154.82 20.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.704 1.603 . . . . 0.0 111.213 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -74.88 142.27 44.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -175.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.5 mt -108.37 146.85 32.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.4 p -101.34 176.11 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.208 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.59 -41.79 66.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.6 -38.07 88.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -68.11 -40.13 82.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.5 mt -76.25 -35.5 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.12 -40.29 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.282 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 mt -127.78 71.16 77.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.195 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.64 -26.21 33.56 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.752 1.634 . . . . 0.0 111.15 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -78.15 -7.1 56.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.2 mmm -109.94 16.5 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 174.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.2 t -125.53 97.98 35.58 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -55.55 -31.95 80.82 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.693 1.595 . . . . 0.0 111.212 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.6 p -64.13 -20.31 65.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -93.2 -49.45 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 172.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.44 -30.06 70.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -167.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.7 p -95.04 3.54 54.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 -174.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -125.99 106.61 25.4 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.55 -27.13 58.22 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.674 1.582 . . . . 0.0 111.198 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.0 m -64.95 -16.61 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 -175.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -95.69 21.16 8.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -136.85 146.45 45.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -160.2 160.79 33.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -121.24 134.77 55.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.2 tp -68.46 145.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -115.12 -38.8 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -172.22 143.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.87 142.85 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 168.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -114.63 -56.64 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.222 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.453 ' OD1' ' SG ' ' A' ' 76' ' ' CYS . 59.5 t-20 -129.06 98.81 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.8 t -103.77 112.66 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.453 ' SG ' ' OD1' ' A' ' 74' ' ' ASN . 85.1 m -130.07 175.94 8.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 178.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.447 ' HA ' ' NH1' ' A' ' 110' ' ' ARG . 88.5 m-20 -59.91 102.48 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -178.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.441 ' HB3' ' HA ' ' A' ' 97' ' ' GLN . 78.1 m-85 66.48 20.34 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -141.27 89.71 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.26 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 81.4 t -110.38 125.4 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.228 -175.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -115.48 118.59 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.235 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.07 -172.27 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -171.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -134.02 140.87 46.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -128.43 172.41 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -149.24 165.91 30.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -106.49 -149.97 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 161.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -74.75 -3.41 31.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -172.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.5 p -142.72 -65.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.198 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -93.17 159.64 15.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 -166.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -131.5 139.5 49.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -147.8 147.44 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.191 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.37 151.42 46.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.9 p -141.16 137.73 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -116.85 136.98 52.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.211 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.401 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 81.2 m-85 -108.35 113.71 26.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.275 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.0 p -71.33 170.64 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -173.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 65.7 tt0 -56.21 -43.8 78.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.95 -40.03 94.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.4 ' SG ' ' HD2' ' A' ' 95' ' ' PHE . 36.4 t -57.28 -52.62 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.57 -42.86 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.8 m -57.91 -52.95 63.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.276 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.81 -44.24 90.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.88 -43.03 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.91 -40.01 75.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.212 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.27 -35.06 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.6 m -79.44 -50.96 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -109.71 3.54 21.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.23 -168.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 56.23 37.27 28.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.1 161.33 31.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.447 ' NH1' ' HA ' ' A' ' 77' ' ' ASP . 82.7 mtt180 -80.12 161.15 25.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.1 mm -47.9 -43.89 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 95.1 m -68.36 -32.37 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.3 t -79.58 128.96 34.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -170.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 60.13 45.74 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 171.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.522 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 52.5 p -133.53 -2.04 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 175.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 98.2 m -53.12 -47.75 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -174.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -116.62 29.89 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.522 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 83.3 m -117.58 138.12 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 46.5 tp -71.86 128.24 35.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 175.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 98.0 mmm -95.49 145.26 25.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.234 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 71.3 mt -108.79 136.02 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 170.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.8 mt -114.8 132.44 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -136.4 153.5 21.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.6 t0 44.12 72.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 111.176 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 156' ' ' ASN . . . -132.23 144.07 50.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.227 -174.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -132.44 131.72 42.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.9 mt -80.92 125.73 30.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 174.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.0 159.93 42.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.297 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -90.67 129.88 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.2 m -124.98 160.12 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 171.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.1 p -86.3 166.13 15.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -171.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -50.08 -45.51 52.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 168.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 71.6 m -55.74 -46.24 77.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.63 -39.14 88.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.74 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.0 tpp -80.03 -47.92 14.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.3 p -73.61 -25.83 60.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 -169.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -110.28 -44.76 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.172 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -107.47 2.61 24.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 52.13 40.24 28.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.4 tt -142.97 130.23 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 70.6 m -65.35 137.75 57.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 54.2 tp -109.09 -48.33 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.4 p -70.68 -10.01 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.238 -175.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -103.96 2.39 32.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 49.1 pt -128.11 -19.98 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.6 p -121.11 179.94 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 91.3 p -100.83 3.11 41.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -120.07 168.0 11.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -107.66 -0.52 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.2 pt -128.88 147.83 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.9 p -143.81 136.6 13.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -174.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.96 139.97 64.12 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.751 1.634 . . . . 0.0 111.185 174.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.36 140.04 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.206 177.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 33.8 tp -91.52 110.11 21.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 -171.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 125' ' ' ALA . 54.4 t-20 -90.45 116.81 28.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.33 137.4 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 -169.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -109.96 -26.66 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -125.54 142.67 51.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.62 151.11 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.1 t -160.16 -179.61 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.205 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 98.4 mt -108.07 143.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.21 -176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -132.45 110.06 10.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -80.1 105.79 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.7 tp -162.11 -30.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -150.42 118.02 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.16 150.15 47.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.232 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 87.0 t -72.77 124.81 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.579 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.213 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.83 0.347 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.81 -43.98 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.214 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -72.42 -21.52 61.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -72.78 -33.3 66.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -100.06 25.49 7.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 -178.125 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.772 0.32 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -94.88 155.17 39.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.234 174.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.15 143.41 71.3 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.72 1.613 . . . . 0.0 111.247 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -144.7 -23.89 0.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -172.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.46 -50.58 79.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.98 -49.96 75.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.211 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.95 94.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.32 -41.09 98.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.6 -54.94 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 176.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.11 -43.59 74.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.53 -30.74 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.255 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 -173.715 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.501 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -89.22 160.93 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 111.22 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.6 m -114.59 -20.22 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.0 mt -119.9 120.0 30.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 171.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -55.01 153.87 24.15 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.727 1.618 . . . . 0.0 111.195 -175.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 t -72.17 140.5 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.3 mt -109.87 145.23 37.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.253 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.3 p -100.11 176.24 5.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.51 -42.19 70.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.45 -39.62 92.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -65.52 -43.71 89.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.19 -31.84 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.07 -45.63 66.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.8 mt -129.42 72.97 81.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.56 -25.78 29.16 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.692 1.595 . . . . 0.0 111.206 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -78.94 -9.92 59.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 97.5 mmm -104.93 4.1 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 t -119.08 106.86 42.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -54.95 -31.68 75.03 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.635 1.557 . . . . 0.0 111.141 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.7 p -64.24 -18.68 64.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -175.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.2 mt -104.1 -50.05 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.68 -38.65 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -168.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.3 p -101.61 14.58 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -173.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -127.72 104.16 21.39 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -56.61 -26.58 65.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.746 1.631 . . . . 0.0 111.179 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.9 m -64.89 -16.2 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.158 -173.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.07 9.79 42.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -125.71 149.57 48.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.6 160.02 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -119.27 144.57 46.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 176.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.53 139.49 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.3 p -108.14 -38.51 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -176.84 141.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -92.99 143.1 26.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 168.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.71 -54.37 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -138.76 73.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.281 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 80' ' ' VAL . 92.4 t -79.04 114.61 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 176.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.1 m -130.0 174.24 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -50.88 99.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 61.96 23.42 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.183 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -140.03 89.94 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.414 HG13 HG23 ' A' ' 75' ' ' VAL . 86.2 t -104.25 129.43 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -174.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.45 119.24 27.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.194 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.69 -173.61 4.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -172.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -128.79 143.13 50.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.71 175.09 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -154.06 167.2 30.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -109.84 -144.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 166.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.0 m -85.7 9.5 16.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.1 p -150.62 -66.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -97.56 155.64 16.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -165.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -123.96 138.75 54.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.9 tt -148.3 149.75 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.28 150.23 46.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.39 139.44 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.241 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -128.28 151.83 48.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -121.58 127.78 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.261 -173.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 91.2 p -70.21 167.53 17.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -174.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.4 -41.51 89.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.12 -39.95 93.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 96' ' ' SER . 46.2 t -56.72 -52.67 64.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.97 -44.93 99.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.1 m -55.4 -52.41 63.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -65.0 -44.26 89.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.179 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -55.02 -47.31 74.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.01 -42.98 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.92 -37.1 85.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.3 m -71.05 -52.31 20.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -99.85 -7.88 24.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.296 -169.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 53.73 42.49 31.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 23.2 p -155.13 172.54 17.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.11 164.01 23.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.6 tp -64.76 -19.9 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.5 p -96.15 -9.32 30.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.0 t -90.1 121.79 32.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -172.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 60.92 36.26 18.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.3 p -126.61 -21.42 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 92.7 m -58.03 -43.66 86.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -116.51 25.11 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.227 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.14 141.65 51.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.29 133.49 47.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.195 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 95.1 mmm -104.01 148.32 26.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -174.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 78.8 mt -109.82 136.63 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.203 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.6 mt -119.4 137.03 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.97 158.18 27.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.6 t0 44.61 70.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 0.0 111.232 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.24 146.43 48.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.223 -174.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -140.02 150.76 44.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.8 mt -91.28 132.77 35.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.1 m -135.21 149.24 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 174.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -92.6 131.13 37.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.74 160.93 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.9 p -88.75 166.77 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.194 -174.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -48.74 -46.79 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 169.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.5 m -54.53 -49.61 69.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.55 -38.89 92.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.83 -25.62 66.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.212 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.3 mtp -90.05 -30.04 17.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 85.2 p -85.94 -21.29 27.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -116.87 -42.54 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -108.63 -2.94 18.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -174.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 55.13 40.13 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 171.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.0 tt -149.11 120.08 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.7 t -70.47 144.98 51.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 88.5 mt -92.64 -34.09 14.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.212 -174.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.4 p -71.74 -10.08 59.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.289 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -105.67 1.71 27.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.7 pt -130.16 -15.17 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.254 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.2 p -141.97 -179.94 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.6 p -94.61 -0.13 54.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.168 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -122.69 162.72 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -108.62 17.04 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 85.6 mt -135.02 130.23 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 176.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.76 137.06 29.46 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.196 -171.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.06 140.1 40.75 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.723 1.615 . . . . 0.0 111.236 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 90.2 t -134.22 136.63 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.42 113.07 22.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.179 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -94.0 122.76 36.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.6 t -114.7 131.3 67.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -170.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.16 -36.04 9.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -117.2 136.32 53.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.57 151.27 25.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.259 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.9 t -160.04 165.14 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 84.1 mt -92.97 138.28 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -140.0 89.2 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.206 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -65.72 106.5 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.197 -178.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 10.2 tp -152.32 -28.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -136.45 109.33 7.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 176.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.41 131.44 50.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.54 120.76 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.737 0.303 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 74.1 t -69.39 -49.19 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -69.19 -21.56 63.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -75.75 -35.26 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -99.76 29.2 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.227 174.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.739 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.844 0.354 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -79.46 153.9 76.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.17 152.79 56.63 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.652 1.568 . . . . 0.0 111.283 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -143.89 -23.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.23 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.429 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 86.0 mt -67.55 -39.54 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.261 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -45.05 -62.97 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.205 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.57 95.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.227 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HB3' ' HA ' ' A' ' 22' ' ' ILE . 21.2 tp -48.61 -49.98 34.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -85.26 -50.8 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.173 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.69 -39.94 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.193 -171.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -89.69 -9.26 50.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.23 -172.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -174.268 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.545 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -64.15 139.01 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 111.227 -178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -120.0 -61.56 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 91.2 mt -99.3 119.85 59.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -170.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -54.34 154.96 17.4 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.731 1.62 . . . . 0.0 111.23 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 m -69.04 143.83 54.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.246 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.56 149.96 33.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -88.05 171.16 10.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.8 -40.03 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.24 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.34 -40.04 77.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.22 -48.94 79.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.258 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.7 -30.15 66.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.42 71.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.8 mt -136.23 75.46 52.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.214 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -57.26 -37.02 99.01 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.676 1.584 . . . . 0.0 111.221 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -77.4 -6.29 52.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 -174.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.1 mmm -105.22 4.92 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.4 t -114.8 109.23 47.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.211 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -55.3 -33.27 84.42 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.691 1.594 . . . . 0.0 111.215 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.9 p -67.17 -16.99 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -99.57 -39.77 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.218 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.94 -37.91 74.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.2 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.3 p -98.44 10.04 41.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 -173.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.449 ' HB2' ' HD2' ' A' ' 65' ' ' HIS . 66.3 m-20 -130.67 116.82 17.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.163 -177.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.13 -18.67 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.656 1.571 . . . . 0.0 111.234 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.2 p -65.96 -18.93 65.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -174.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.449 ' HD2' ' HB2' ' A' ' 62' ' ' ASN . 93.1 m-70 -89.16 -3.94 58.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -176.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -109.89 131.98 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.58 141.54 37.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -106.01 106.22 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.5 mt -73.7 121.65 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.9 p -98.98 -29.47 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -179.19 141.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -104.26 159.83 15.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.167 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.66 -58.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -170.01 179.93 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -174.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.2 m -125.44 157.62 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 44.6 t -164.27 132.73 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 55.87 39.98 30.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 66.65 18.98 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.277 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -113.9 167.09 10.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.88 140.14 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.224 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -119.75 124.4 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.93 -177.63 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 -172.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.5 m -126.53 139.58 53.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 174.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.5 pt -128.0 168.35 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -149.28 171.02 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -141.95 -151.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 172.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -62.37 -29.21 70.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.3 p -98.22 -114.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -101.18 -175.79 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.252 -173.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -100.07 169.62 9.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -174.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -160.0 139.91 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.63 145.05 52.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 173.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -136.49 147.61 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.64 129.79 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.503 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 88.7 m-85 -105.23 134.27 48.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.209 -175.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.9 p -70.08 167.7 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -171.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -57.78 -40.08 78.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.195 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.41 -48.3 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 175.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 46.7 t -57.4 -53.15 61.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.68 -46.5 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -61.42 -52.09 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.214 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.95 -44.34 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -52.86 -52.42 57.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.263 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.91 -35.41 79.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.205 -171.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.12 -37.0 85.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.9 p -95.81 -24.48 16.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.9 m-70 -107.46 -12.75 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 50.13 45.92 25.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 31.2 p -160.77 171.3 19.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.79 141.44 40.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 17.4 tt -67.16 -20.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.6 p -82.18 -19.96 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.9 p -90.17 159.86 16.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 55.17 41.5 31.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 -177.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 41.7 p -111.53 -9.78 14.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.5 m -77.05 -59.44 2.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.4 p-10 -100.16 20.04 15.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.239 -173.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 64.9 m -129.94 164.93 23.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 68.2 mt -110.04 154.34 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.441 ' SD ' ' HB2' ' A' ' 160' ' ' ALA . 47.5 tpp -102.71 130.31 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.8 mm -103.41 110.44 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.249 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 89.9 mt -101.61 140.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.181 -169.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.05 161.13 27.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 175.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.0 t70 43.53 77.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.166 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.61 153.28 43.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -132.93 170.27 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.258 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.8 tp -102.43 132.29 48.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 34.5 m -132.34 174.23 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.185 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -113.15 142.89 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.207 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 78.1 t -132.58 137.56 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.186 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.1 p -92.82 170.5 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -50.5 -59.76 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 173.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.7 p -59.94 -35.44 74.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -174.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 21.1 tpp85 -70.53 -39.17 74.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.29 -25.53 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.247 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 97.8 mtp -73.39 -36.46 66.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 173.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.2 p -83.96 -25.73 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.276 -176.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -107.07 -64.16 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -79.16 -9.49 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 65.66 30.65 10.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.4 tt -149.62 123.9 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 -178.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.5 t -66.83 141.2 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.247 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.4 mt -82.08 -25.11 34.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 86.9 p -67.52 -17.01 64.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -84.68 -18.04 36.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.0 pt -136.32 19.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.8 t -163.3 153.9 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.225 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.4 p -85.62 -5.34 59.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.402 ' NZ ' ' OXT' ' A' ' 181' ' ' LEU . 61.0 mttp -120.39 170.03 9.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 178.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.89 24.81 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.216 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.4 pt -129.44 157.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.6 p -158.06 132.56 5.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 174.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.67 141.16 30.49 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.66 1.573 . . . . 0.0 111.231 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 72.6 t -136.6 140.01 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.283 -173.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 54.6 tp -88.98 117.9 28.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -97.87 112.81 24.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 84.3 t -108.05 132.45 55.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.216 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -96.38 -31.11 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.97 140.29 38.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.441 ' HB2' ' SD ' ' A' ' 120' ' ' MET . . . -170.9 148.12 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.9 p -135.58 153.34 51.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.216 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 95.7 mt -108.25 137.63 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -174.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -137.13 144.08 42.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 175.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -73.34 74.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 91.6 mt -94.6 -45.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.209 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -161.01 151.1 17.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 61.9 tt0 -79.89 143.53 34.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 -178.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 56.4 t -113.49 144.34 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.767 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.82 0.343 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.52 -19.73 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.215 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -94.62 5.26 52.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -175.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -83.19 -15.82 49.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.248 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -103.27 8.24 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.402 ' OXT' ' NZ ' ' A' ' 149' ' ' LYS . 83.7 mt . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.789 0.328 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -109.18 159.11 32.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 174.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.92 130.06 35.95 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.693 1.596 . . . . 0.0 111.178 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 70.2 p-90 -140.61 -21.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.4 mt -64.71 -53.43 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -174.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.19 -40.18 73.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.2 77.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.8 mt -72.55 -29.03 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.87 -49.88 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -60.37 -37.12 79.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.11 -27.96 64.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 -176.429 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.55 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -73.21 143.67 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.9 -13.84 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.9 mt -125.38 127.39 24.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -53.62 154.21 16.58 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.762 1.641 . . . . 0.0 111.246 -175.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.4 m -79.05 147.05 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.56 162.72 15.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.233 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.7 p -118.4 171.93 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.217 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.89 -40.01 55.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.74 -31.65 72.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -77.04 -34.65 57.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -79.59 -26.98 41.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.242 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.53 -41.69 60.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 175.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 mt -128.59 68.68 78.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.09 -26.03 31.11 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.682 1.588 . . . . 0.0 111.265 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -79.14 -3.6 46.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.8 mtp -118.5 18.81 13.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 174.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 t -121.86 100.08 43.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -54.99 -32.18 77.7 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.736 1.624 . . . . 0.0 111.179 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.3 m -53.56 -33.57 55.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.6 mt -89.07 -49.09 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 175.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.26 -37.37 86.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -166.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.6 p -97.37 7.42 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.207 -171.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -125.79 106.56 26.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -54.46 -28.57 54.99 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.749 1.633 . . . . 0.0 111.218 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.8 m -64.14 -18.88 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -94.27 2.53 55.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.18 142.64 45.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.22 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.62 163.13 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.235 172.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HD2' ' HB ' ' A' ' 168' ' ' VAL . 44.6 mtmt -128.87 139.97 51.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 172.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.9 mt -84.14 135.71 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.233 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.5 p -105.13 -30.4 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -176.97 145.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -102.72 157.45 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 172.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -125.74 -36.84 2.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -174.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -147.1 89.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -94.02 115.86 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 84.9 m -135.06 163.63 29.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.272 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.424 ' OD1' ' NH2' ' A' ' 110' ' ' ARG . 78.4 m-20 -60.01 108.88 0.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.429 ' HB3' ' HG3' ' A' ' 97' ' ' GLN . 66.8 m-85 66.22 29.05 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 88.7 tttt -164.72 75.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -178.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.5 t -110.61 135.06 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 -172.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.473 ' HB3' ' CD2' ' A' ' 139' ' ' PHE . 97.8 m-85 -120.58 125.84 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 178.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.39 -173.08 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.9 p -127.3 138.23 53.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.218 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.7 pt -128.24 159.97 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -139.81 159.71 41.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.259 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -110.3 -141.64 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.224 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 m -95.13 15.42 19.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t -142.27 -64.89 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -126.22 -178.14 4.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.198 -167.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -127.84 143.55 51.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 tt -137.98 142.88 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.235 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.12 149.66 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 175.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.1 p -135.06 140.09 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -175.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -116.0 133.65 55.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 172.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.85 111.18 23.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.3 p -71.23 168.74 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.271 -174.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' HG3' ' HB3' ' A' ' 78' ' ' TYR . 63.6 tt0 -57.66 -40.32 79.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 173.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.51 -46.92 87.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.04 -56.45 20.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.4 -43.01 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.8 t -61.87 -53.42 56.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.09 -47.17 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.264 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -55.01 -46.47 75.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -69.97 -36.01 74.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 -173.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.44 -38.47 91.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.2 p -90.38 -29.99 17.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -173.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -112.24 -4.94 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.186 -173.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 54.02 42.45 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.2 p -164.6 174.53 10.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.424 ' NH2' ' OD1' ' A' ' 77' ' ' ASP . 93.8 mtt-85 -78.3 155.7 30.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -175.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.3 tp -58.45 -23.24 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 59.5 p -90.53 -17.21 27.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.7 m -60.04 110.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.266 -172.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 60.92 31.96 19.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.494 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 67.4 p -119.19 -23.6 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 172.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.2 m -57.76 -35.16 70.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.223 -177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -116.51 20.2 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 75.4 m -130.54 -170.86 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.212 -176.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.8 tp -92.86 129.49 38.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.5 ptm -110.24 154.96 22.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.417 ' HB ' HG23 ' A' ' 161' ' ' THR . 44.0 mm -111.42 142.72 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 176.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 82.9 mt -120.56 132.84 69.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.28 158.05 27.59 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.3 t0 52.05 54.85 10.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -124.27 145.6 49.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -169.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -127.84 165.86 19.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 21.3 tp -107.48 133.99 51.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.9 m -137.78 144.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -98.58 132.67 43.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.199 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.2 m -123.79 158.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.5 p -96.91 173.2 7.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -53.13 -46.62 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 173.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -58.27 -47.74 82.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.217 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.43 -37.53 87.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.08 74.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.265 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.2 mtm -77.25 -29.95 54.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.214 175.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.4 m -79.78 -32.94 40.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.191 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -107.63 -61.63 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.473 ' CD2' ' HB3' ' A' ' 81' ' ' TYR . 70.1 m-85 -77.34 -16.53 58.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 66.43 33.55 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 141' ' ' ILE . 6.3 tp -148.84 121.16 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.9 t -62.75 138.46 58.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.09 -24.1 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 89.2 p -61.9 -19.85 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -97.11 -12.45 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.5 pt -137.27 19.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -175.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.9 t -170.78 156.49 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.174 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.6 p -90.31 -5.33 56.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 174.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -122.37 153.84 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -90.03 -7.58 53.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 90.3 mt -125.42 121.36 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 174.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.92 147.7 66.47 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 -172.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.88 145.01 49.55 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.723 1.615 . . . . 0.0 111.194 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.39 136.81 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 53.1 tp -95.84 118.17 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -99.37 122.0 41.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.3 t -111.46 141.47 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 -170.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -121.67 -23.37 5.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -125.66 139.79 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 172.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.74 151.14 16.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.417 HG23 ' HB ' ' A' ' 121' ' ' ILE . 14.5 t -145.31 -172.71 3.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 169.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 14.1 tt -120.94 130.64 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -165.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.428 ' HD1' ' HA ' ' A' ' 163' ' ' PHE . 1.3 m-30 -122.21 141.83 51.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 170.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.8 p-10 -99.08 20.35 13.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 173.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.89 -50.33 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.259 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -128.42 102.74 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -173.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -74.69 159.9 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.413 ' HB ' ' HD2' ' A' ' 68' ' ' LYS . 10.8 p -138.16 144.96 29.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.219 -175.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.528 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.327 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.89 0.376 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.43 -26.49 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -70.28 -30.04 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.06 -32.85 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.211 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -126.43 30.92 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.3 tp . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 -175.037 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.814 0.34 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -91.91 159.27 38.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.91 142.22 74.52 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.702 1.601 . . . . 0.0 111.221 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -149.79 -28.73 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 -172.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.408 HG22 HG22 ' A' ' 177' ' ' VAL . 97.3 mt -64.79 -49.32 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -171.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -58.0 -52.44 65.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.1 95.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD11 ' HB ' ' A' ' 41' ' ' VAL . 30.2 tp -56.8 -49.95 73.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.66 -46.73 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -58.02 -40.36 80.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.94 -15.03 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.162 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.235 178.036 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.568 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -133.14 159.01 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.195 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.44 ' HB ' HD11 ' A' ' 25' ' ' LEU . 35.7 m -117.27 -18.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 98.4 mt -118.97 123.14 29.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 172.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -55.39 154.32 24.58 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.632 1.555 . . . . 0.0 111.202 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.5 t -74.77 135.75 41.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.88 147.77 27.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.6 p -84.89 168.51 14.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.44 -40.2 68.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.269 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.86 -40.11 75.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -57.96 -48.95 78.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.21 -27.33 60.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.173 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.7 87.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.6 mt -134.02 76.69 63.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.29 -37.43 97.78 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.708 1.606 . . . . 0.0 111.211 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -76.14 -10.19 59.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.2 mmm -100.83 3.75 42.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 t -119.29 101.9 48.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -54.19 -33.33 74.41 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.674 1.582 . . . . 0.0 111.205 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.5 m -54.05 -36.84 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.58 -49.26 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.269 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.68 -40.77 80.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.201 -170.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.0 p -90.75 1.47 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -171.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.416 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 62.8 m-80 -125.5 110.35 25.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 54.5 Cg_endo -68.15 -16.53 44.61 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.693 1.595 . . . . 0.0 111.177 -178.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.5 m -62.91 -22.86 67.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.255 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' ' 121' ' ' ILE . 82.5 m-70 -90.82 -4.95 56.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -107.54 148.3 29.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.59 151.65 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -114.66 121.61 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.217 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.0 mt -78.94 126.97 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.1 p -94.6 -43.6 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -177.09 149.34 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -99.42 149.48 23.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -107.52 -51.99 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -158.49 149.21 20.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.19 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.0 p -135.85 139.19 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 172.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 52.5 t -159.22 127.73 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.19 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 55.66 40.87 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 65.49 19.85 11.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -113.05 108.19 16.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 176.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -103.89 140.65 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.244 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -118.94 122.6 42.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.33 -177.58 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 -172.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 t -125.03 141.18 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.2 pt -130.02 160.69 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -144.69 145.16 31.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -103.77 -149.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 170.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.4 m -70.71 -23.12 62.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.7 p -103.28 -106.88 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -101.02 -176.6 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -119.22 159.98 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -172.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.4 tp -146.21 150.71 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.55 143.45 48.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.235 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.44 148.71 28.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -133.52 152.34 51.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -120.85 138.11 54.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.218 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 59.6 p -70.14 159.47 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.279 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -50.97 -44.1 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.49 -39.26 91.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.7 t -51.6 -58.04 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.78 -42.52 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -174.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.1 m -54.84 -49.84 70.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.58 -45.37 90.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -50.94 -46.43 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.62 -42.28 91.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.17 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.87 -40.07 95.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.9 m -72.05 -49.61 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.427 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 96.6 m-70 -98.18 -7.42 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.222 -168.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 54.45 38.83 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 31.5 p -160.26 167.78 26.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.92 144.17 33.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.0 tt -70.05 -12.94 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.9 p -99.64 -9.45 23.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.261 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -97.54 115.81 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -172.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 59.89 46.63 10.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 64.6 p -127.64 -7.9 5.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.223 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.4 p -72.54 -17.54 61.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -173.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -114.71 21.76 14.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.0 m -117.97 170.61 8.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.2 mt -98.93 146.66 25.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.267 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 62.8 ttp -118.82 134.41 55.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -175.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 65' ' ' HIS . 4.9 mp -113.21 119.93 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 176.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.2 pt -115.2 152.69 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.277 -170.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.59 162.32 29.57 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.6 t0 51.78 70.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.8 148.12 51.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 -174.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -135.24 170.07 16.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.7 mt -99.64 134.68 42.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.7 t -129.73 129.72 66.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.41 120.0 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.214 172.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.5 m -123.94 148.96 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 172.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.3 p -93.03 168.69 10.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.254 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -49.5 -41.91 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.3 p -58.33 -33.45 69.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.18 -35.45 36.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.268 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.03 -37.99 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.5 tpp -79.9 -45.66 18.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.232 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.3 t -66.89 -42.4 85.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -172.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -109.69 -47.02 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 -169.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -85.5 -12.52 51.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.227 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 65.14 35.55 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 20.0 tt -152.84 129.79 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.5 t -60.05 132.89 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.23 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.11 -29.52 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.7 p -62.83 -21.41 65.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -174.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -99.35 -14.28 19.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.256 -173.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.1 pt -120.8 -0.81 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 148' ' ' SER . 53.5 p -152.87 -34.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 169.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 147' ' ' SER . 20.0 m 68.55 24.35 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -174.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -120.11 172.75 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -86.34 -27.02 24.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 90.0 mt -130.1 140.56 48.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.14 134.49 13.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.92 133.03 16.22 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.75 1.634 . . . . 0.0 111.205 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 32.8 m -127.84 160.82 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.1 tp -98.68 120.27 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.236 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -104.42 120.59 41.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 176.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.6 t -110.19 126.98 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -174.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -81.41 -40.43 23.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -134.31 140.01 46.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -162.51 149.16 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 44.5 p -132.61 161.29 34.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 170.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 87.8 mt -131.84 131.95 61.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.226 -173.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.43 140.7 49.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -77.73 97.24 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 80.9 mt -120.56 -73.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -105.02 135.11 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -64.08 129.97 42.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.19 136.36 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.227 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.539 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -177.173 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.794 0.331 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . 0.408 HG22 HG22 ' A' ' 22' ' ' ILE . 50.3 t -56.4 -50.54 71.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -64.54 -45.17 88.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.97 -37.11 66.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -119.85 34.75 5.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.453 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.875 0.369 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -71.6 149.54 93.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.172 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.71 133.92 59.78 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.776 1.651 . . . . 0.0 111.197 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -140.15 -20.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 175.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.5 mt -69.68 -40.05 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.47 -49.44 77.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 171.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.32 -36.93 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 176.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.0 tp -61.0 -50.17 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 pt -76.43 -19.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.27 -43.69 69.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.69 -26.93 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 -177.627 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -136.77 152.74 50.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.6 t -111.31 -40.06 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.6 mt -119.95 119.71 30.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -54.58 153.51 23.32 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.733 1.622 . . . . 0.0 111.212 -175.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.2 t -70.58 132.75 45.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.51 146.66 23.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.4 p -85.71 170.1 12.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.3 -40.04 67.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 172.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -68.44 -40.55 81.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.48 -46.38 90.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.21 -36.82 77.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.85 -41.28 83.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.5 mt -137.3 74.8 47.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.87 -22.28 27.18 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 121.677 1.584 . . . . 0.0 111.203 -177.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -80.36 -5.62 56.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 96.1 mmm -108.52 17.32 22.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.264 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -121.9 88.34 47.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 86.9 Cg_exo -52.54 -30.76 46.06 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.653 1.568 . . . . 0.0 111.216 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.0 m -49.92 -45.65 51.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.2 pt -94.66 -22.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 -175.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 95.4 mt -66.49 -21.45 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.2 p -105.54 17.62 23.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 175.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.462 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 62.2 t-20 -139.76 102.33 7.08 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.236 -179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -61.78 -20.44 69.14 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.698 1.599 . . . . 0.0 111.189 -174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.462 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 88.4 m -60.58 -24.56 65.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 -173.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -89.28 3.22 52.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 -175.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.72 139.92 50.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -176.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.37 153.11 31.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.236 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -111.67 101.64 10.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.204 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.36 125.53 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 173.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.7 p -102.12 -29.91 11.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.2 tttt 179.98 142.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -176.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -101.36 160.04 14.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.422 ' O ' ' HB3' ' A' ' 74' ' ' ASN . 94.4 m-85 -108.01 -54.67 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 73' ' ' TYR . 23.8 p30 -173.23 179.92 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -176.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.6 t -129.0 126.65 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.0 t -149.48 143.26 25.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.198 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 59.72 31.22 20.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 64.8 21.54 12.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -178.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.66 147.41 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.5 t -104.88 123.86 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 -176.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -105.13 119.94 40.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.83 -174.48 4.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -125.96 141.07 52.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.3 177.3 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -160.0 170.44 21.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -130.03 -149.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 165.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.3 m -84.92 4.36 33.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -174.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.1 t -129.17 -67.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.263 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -119.1 159.53 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -166.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.433 ' H ' ' HB2' ' A' ' 176' ' ' PHE . 53.1 mt-30 -113.04 150.03 32.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 174.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.3 tt -151.22 144.57 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 -174.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.4 148.95 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.194 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 p -137.23 140.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -119.59 124.12 45.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.583 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 85.5 m-85 -98.75 119.85 38.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.9 p -67.24 168.48 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -174.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -56.81 -42.05 78.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.29 -44.42 84.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.583 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 50.2 t -58.14 -60.56 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.218 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.94 -30.39 49.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.229 -175.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.1 t -64.47 -53.55 46.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.39 -42.13 92.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.223 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -54.32 -43.59 71.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -69.99 -39.97 75.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.217 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.03 -36.62 82.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 176.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.9 m -74.47 -50.3 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.404 ' NE2' ' OG1' ' A' ' 161' ' ' THR . 93.3 m-70 -108.46 0.88 21.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -168.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.12 38.64 30.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.24 163.48 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.22 159.42 23.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.48 -23.15 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.1 p -85.31 1.15 49.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.0 p -77.1 -129.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.9 68.26 9.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.246 -171.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 54.3 p -127.12 -13.03 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -75.95 -10.29 59.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 -171.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -124.92 20.04 8.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.7 m -121.94 165.02 16.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 60.4 tp -92.8 122.9 35.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -108.42 148.52 30.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -167.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 161' ' ' THR . 46.6 mm -110.05 133.25 56.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.35 139.48 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.26 155.63 25.7 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 40.7 t0 49.12 60.27 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 0.0 111.212 177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.12 150.33 49.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -140.05 154.47 47.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.7 tp -77.1 129.07 35.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.0 -170.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -139.88 159.08 42.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.0 p -124.98 136.88 59.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 173.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 65.4 p -89.98 157.62 17.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -53.53 -42.92 67.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.8 t -63.82 -50.51 68.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -55.78 -43.94 77.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 177.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.84 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.248 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 58.4 ttm -65.71 -40.88 92.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.151 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.4 t -81.33 -67.56 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.292 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.82 -57.9 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -80.5 -14.74 58.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -173.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 66.7 30.94 7.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.7 tt -154.16 120.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.7 t -64.77 150.34 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.7 mt -84.13 -9.94 58.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.8 p -70.28 -10.33 58.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.27 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -92.01 -10.71 38.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.5 pt -129.91 -7.91 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.214 -175.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 91.1 p -149.97 160.72 43.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 92.3 p -98.11 1.78 47.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 172.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -116.56 172.95 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 175.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -95.8 7.57 45.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -172.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.6 pt -133.76 143.91 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 74.1 t -137.31 136.6 20.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 176.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 152' ' ' VAL . 68.9 Cg_exo -57.04 136.75 78.55 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.701 1.601 . . . . 0.0 111.217 177.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 53.5 t -139.38 146.92 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 55.2 tp -100.09 127.01 46.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 174.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -100.03 114.07 27.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.2 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 84.3 t -109.87 143.74 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.251 -173.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.25 -22.11 4.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -177.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -126.71 140.13 52.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 170.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -153.47 150.02 28.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.413 HG23 ' HB ' ' A' ' 121' ' ' ILE . 13.0 t -159.16 -179.44 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 172.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 93.6 mt -107.6 134.91 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -99.85 -54.09 3.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -159.29 174.47 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 -173.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 43.6 pt -97.8 31.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.15 127.29 30.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -61.1 138.79 58.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 22.6 m -110.17 168.11 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.244 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.535 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 178.375 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . 0.433 ' HB2' ' H ' ' A' ' 90' ' ' GLN . 22.1 m-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.74 0.305 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.89 -23.58 33.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -90.26 -50.4 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.285 174.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -53.95 -38.27 64.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.162 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -114.63 28.0 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 -177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 -179.762 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 tp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -81.9 158.0 68.26 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.233 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.89 161.65 44.78 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.679 1.586 . . . . 0.0 111.237 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.9 p90 -149.99 -26.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.235 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -51.13 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.226 -169.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.03 -44.56 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.04 75.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.234 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.06 -33.46 76.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 -173.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.5 -59.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 177.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.58 -37.47 87.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -170.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -64.12 -26.15 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -174.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -82.7 156.82 23.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 0.0 111.209 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.412 HG21 HG13 ' A' ' 42' ' ' ILE . 35.3 m -118.08 -18.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.224 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.412 HG13 HG21 ' A' ' 41' ' ' VAL . 95.3 mt -115.46 115.04 42.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.27 172.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -55.1 154.87 20.83 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.755 1.637 . . . . 0.0 111.198 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.5 p -73.18 160.05 32.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -124.05 167.59 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.0 p -118.93 168.25 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -49.41 -40.0 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.26 -32.35 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.21 -177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -75.37 -43.62 49.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.72 -27.84 62.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.97 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -131.82 73.35 78.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.29 -26.64 29.58 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.65 1.566 . . . . 0.0 111.22 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -80.3 -9.99 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.273 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.8 mmm -104.09 -0.2 28.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.0 t -120.97 109.18 35.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.259 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -53.88 -30.45 58.11 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.687 1.591 . . . . 0.0 111.204 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 m -50.12 -35.89 27.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.7 mt -100.01 -48.64 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.81 -41.38 70.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -169.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.9 p -104.97 14.41 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -170.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -128.31 102.36 21.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.5 -27.94 61.82 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.652 1.568 . . . . 0.0 111.226 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.9 m -59.98 -24.31 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -93.15 9.75 34.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.189 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.3 166.24 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 174.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.43 145.94 18.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 171.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -101.6 121.1 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.4 mt -81.78 134.98 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.2 p -111.58 -40.05 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -176.85 147.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' A' ' 82' ' ' ALA . 58.2 m-85 -101.04 143.69 30.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 169.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -110.46 -50.11 2.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.256 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -134.4 153.04 52.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.198 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -146.53 121.54 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 61.4 m -130.18 175.29 9.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 174.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -76.24 -11.94 60.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -115.5 -33.39 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -175.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 99.0 mttt -146.24 139.8 26.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -175.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.428 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 96.5 t -126.67 139.41 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 174.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -121.82 118.04 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -174.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . . . -143.16 -177.28 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.14 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.4 t -126.63 139.9 52.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.9 pt -129.64 -176.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -158.84 169.32 24.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -117.03 -138.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 168.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 m -106.25 13.41 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.6 t -120.72 -54.36 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -162.95 -178.42 6.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -92.96 172.44 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.4 tt -165.65 139.21 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 170.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.48 148.24 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.89 137.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -174.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -120.51 126.31 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.579 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 83.8 m-85 -99.79 133.42 44.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 76.9 p -74.71 168.43 19.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.251 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -56.62 -40.05 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 171.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.1 -46.92 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.18 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.579 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 51.2 t -55.97 -50.94 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 176.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 68.4 t -55.19 -49.96 67.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.6 m -57.83 -48.42 79.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -57.7 -44.96 86.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -58.52 -51.93 67.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.205 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.28 -31.5 71.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.81 -29.94 69.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -103.38 -22.43 13.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.179 -171.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.609 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 76.8 m80 -109.56 -22.47 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 -176.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 48.94 48.27 20.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.609 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 27.8 p -162.78 -176.42 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.87 144.34 37.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.5 tt -68.71 -14.7 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.3 p -97.25 -9.11 28.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.221 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.8 t -90.85 116.7 28.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -172.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 60.07 44.02 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.221 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 49.0 p -130.09 -14.73 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.2 p -70.51 -13.58 62.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 -168.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -129.06 20.09 5.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 82.3 m -110.01 138.43 46.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.6 tp -63.53 143.68 57.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 174.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 33.5 ttp -124.25 144.11 50.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.287 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.0 mt -113.74 126.2 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 70.9 mt -114.47 147.63 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -169.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.73 152.53 24.25 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 43.4 t0 50.37 76.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -141.3 147.79 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -129.93 168.4 16.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.218 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.7 mt -111.89 133.97 53.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.06 153.6 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -91.88 139.53 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.0 m -125.0 157.43 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.7 p -90.92 174.81 7.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -174.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -53.31 -53.61 48.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.5 p -55.04 -42.77 73.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 42.3 mmt180 -60.1 -49.58 77.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.63 75.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.8 mtp -72.35 -43.3 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.5 p -79.99 -21.59 43.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.212 -173.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -105.1 -42.7 5.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.267 -174.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 97.0 m-85 -117.75 -10.3 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -171.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 89.7 mttt 71.08 35.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 88.8 mt -129.02 111.75 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.1 t -69.75 132.34 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 169.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 80.3 mt -95.18 -36.58 11.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.3 p -72.78 -12.52 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.174 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -109.45 14.99 23.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 19.8 tt -143.16 -15.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.235 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.3 p -145.04 167.96 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 94.0 p -83.61 -18.68 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -107.23 151.69 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -102.67 10.91 38.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -129.14 145.76 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.259 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.6 m -139.41 151.67 67.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.24 145.39 30.6 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.731 1.62 . . . . 0.0 111.216 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.17 135.05 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 45.0 tp -86.6 110.22 19.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -85.84 112.45 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 96.8 t -109.86 127.18 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -169.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -91.93 -50.42 5.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -111.29 136.54 50.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.191 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.69 138.69 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 88.4 m -133.25 129.83 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 91.5 mt -101.52 129.76 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 -174.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -117.44 151.17 37.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 -172.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -100.04 19.89 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 40.2 pt -81.1 -12.16 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -157.43 121.62 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.228 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -83.04 150.09 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.2 m -130.62 164.39 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.508 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -178.034 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . 0.422 ' O ' ' HB2' ' A' ' 181' ' ' LEU . 9.8 p -66.86 -20.04 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -99.15 -23.07 15.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.06 -37.41 61.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -110.93 12.49 22.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.253 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 177' ' ' VAL . 27.1 tp . . . . . 0 C--O 1.2 -1.545 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 5.3 mp . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.856 0.36 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -105.81 158.05 33.28 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -53.96 128.61 30.42 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.747 1.631 . . . . 0.0 111.204 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -158.43 -37.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.03 -39.12 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.224 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -52.81 -51.44 60.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 173.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.18 90.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.52 -42.72 98.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.173 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.3 mt -65.56 -39.95 86.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.211 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.89 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.212 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.97 -34.33 77.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 178.354 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.571 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -125.84 159.62 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 111.234 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.5 t -90.27 -39.71 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.4 pt -133.47 60.77 49.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -176.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -81.2 -3.78 12.28 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.708 1.605 . . . . 0.0 111.2 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -66.45 -24.37 66.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 mt -78.13 145.51 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.8 p -117.36 178.71 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.96 -36.82 77.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -67.92 -38.62 83.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.225 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -62.38 -46.61 87.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.08 -28.04 61.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.92 99.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 mt -131.07 78.99 72.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -60.55 -34.94 92.03 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.753 1.635 . . . . 0.0 111.173 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -74.9 -6.93 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.9 mmm -109.81 14.55 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 173.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 t -130.56 95.23 27.25 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.223 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.95 -32.05 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.683 1.588 . . . . 0.0 111.222 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -52.91 -37.4 60.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.0 mt -80.88 -50.09 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.244 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.6 -35.08 76.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.216 -166.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.9 p -94.58 -5.72 45.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.22 -169.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -120.04 123.82 28.17 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.472 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . 74.1 Cg_endo -79.29 -13.22 13.85 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.696 1.598 . . . . 0.0 111.196 -172.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.6 p -73.59 -6.58 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.215 -171.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -97.26 -9.5 27.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.226 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -99.86 143.83 29.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 -174.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.82 143.79 24.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.96 106.19 14.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.06 134.43 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.224 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.5 p -107.93 -31.15 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 -177.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -169.93 140.11 2.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.01 145.39 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 166.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -105.88 -50.01 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 -175.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -168.64 164.38 12.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.82 121.6 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 174.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.556 ' SG ' ' HE2' ' A' ' 81' ' ' TYR . 31.1 p -160.88 164.25 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 56.64 31.68 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 62.25 24.37 14.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.223 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.84 147.47 52.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.41 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 93.9 t -109.35 132.57 57.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 179.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.556 ' HE2' ' SG ' ' A' ' 76' ' ' CYS . 66.1 m-85 -116.06 117.46 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -172.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.16 -178.55 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -173.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -132.63 145.72 51.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.11 156.4 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 -176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.445 ' HG2' ' HB2' ' A' ' 90' ' ' GLN . 99.0 mtt180 -117.8 159.08 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.276 169.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -138.38 -160.81 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 174.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.4 m -70.06 -19.94 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.226 -173.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.4 p -98.26 -79.56 0.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.195 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.73 -171.96 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.311 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.445 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 57.3 tt0 -97.88 141.76 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.209 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.5 pt -142.23 175.1 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 170.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.55 162.01 13.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.0 140.0 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -125.24 120.83 32.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.41 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 81.1 m-85 -96.53 117.15 30.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.173 -177.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.5 p -70.37 167.3 18.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 -176.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -55.46 -39.89 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.68 -45.39 94.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.173 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 42.5 t -56.4 -51.56 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.06 -49.09 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -57.87 -49.09 77.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.195 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.01 -43.69 91.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -55.55 -41.75 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.68 -44.45 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.91 -34.91 73.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.5 m -78.7 -53.83 6.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.218 -176.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -105.98 1.47 26.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 -167.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 57.13 35.31 26.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.8 p -162.21 172.26 16.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.8 158.08 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.8 tp -62.59 -21.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.7 p -89.18 -2.21 58.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m -76.36 70.22 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 50.17 55.6 9.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.229 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 61.8 p -102.5 -1.39 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 174.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.6 m -57.1 -40.47 77.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -99.57 30.25 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.7 m -127.39 149.67 49.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 173.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.5 tp -76.02 120.16 20.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.186 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 65.4 ttp -99.43 135.27 41.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.19 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 83.7 mt -119.98 121.84 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.9 pt -111.81 160.05 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.179 -170.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.67 160.79 28.96 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.1 t70 54.85 40.16 31.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.195 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -101.63 149.14 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -124.1 161.42 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.205 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.5 tp -103.58 127.59 50.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 -174.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.05 -177.24 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -127.5 146.01 50.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 175.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.3 p -126.7 145.88 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 174.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.9 p -94.59 165.39 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -50.04 -57.45 7.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.5 m -59.34 -41.68 89.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.19 -174.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -69.08 -50.57 47.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.72 -31.03 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.14 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 67.3 ttp -54.41 -37.33 64.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.0 p -113.96 -13.75 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 -171.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -100.1 -50.64 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -93.56 -3.19 53.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.162 173.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 61.21 34.28 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.696 ' O ' HG23 ' A' ' 141' ' ' ILE . 8.7 tp -156.68 103.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 90.9 p -60.59 154.66 20.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.42 -32.48 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -171.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 88.3 p -74.57 -9.88 59.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 -176.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -105.9 3.03 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.4 pt -128.72 -12.92 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 52.1 p -146.2 179.91 7.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 92.1 p -91.16 -0.1 57.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -116.58 151.78 35.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.283 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -103.95 6.07 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.243 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -135.0 134.23 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.75 133.98 20.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.66 149.99 79.32 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.685 1.59 . . . . 0.0 111.209 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 84.7 t -131.54 139.91 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.33 116.07 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 170.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -95.37 107.63 19.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.206 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 82.0 t -101.77 138.82 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -166.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -110.91 -23.02 11.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.176 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -140.95 141.82 34.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 175.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.92 146.58 20.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 82.6 p -139.29 170.08 16.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.192 172.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 49.1 mm -101.36 136.01 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -91.87 -60.03 1.97 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.205 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -166.35 163.55 17.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.99 133.15 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -160.77 98.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -54.97 133.24 48.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -173.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 49.2 t -124.05 140.15 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.178 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 179.157 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.98 -42.49 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -56.14 -34.86 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -176.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.9 -31.51 60.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -120.25 27.53 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.246 -178.397 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.809 0.338 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 p -100.77 1.47 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.25 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -51.05 144.08 9.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.205 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.0 p -86.45 7.83 24.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.6 m -67.19 -13.72 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -91.21 4.93 51.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 tp -94.34 94.15 8.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -117.93 157.2 49.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -55.07 136.31 72.52 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.701 1.601 . . . . 0.0 111.174 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -150.32 -28.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.89 -49.94 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.72 -57.21 12.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.61 79.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.6 tp -61.67 -46.6 89.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.29 -31.39 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.54 -42.82 86.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -73.86 -15.28 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -124.6 43.67 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.5 p -78.72 -9.96 59.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -82.14 80.06 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -72.44 -15.59 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.22 -171.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -90.96 -13.57 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -110.06 -30.01 7.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -77.52 136.89 38.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.22 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -59.95 132.25 89.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -53.55 -36.64 81.14 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.762 1.641 . . . . 0.0 111.2 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.8 m -110.05 22.33 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.16 112.88 5.35 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -71.38 138.61 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.161 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.88 -22.34 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 -173.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.5 pt -130.76 158.71 74.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.01 155.55 54.86 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.715 1.61 . . . . 0.0 111.182 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.3 t -76.96 129.25 35.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.227 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.58 155.98 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -99.78 171.34 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.73 -31.76 69.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -68.52 -40.64 80.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.92 -40.38 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -68.74 -33.11 73.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.33 -43.45 81.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.0 mt -137.78 73.14 47.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.226 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.53 -26.13 14.38 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.717 1.611 . . . . 0.0 111.224 -177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -80.23 -4.41 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.0 mmm -113.78 10.03 17.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -112.66 107.59 54.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.88 -36.03 90.51 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.706 1.604 . . . . 0.0 111.234 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.9 m -53.01 -37.91 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.233 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -84.62 -43.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.23 -37.84 81.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 -172.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.7 p -90.49 0.18 57.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -122.29 98.31 44.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.85 -25.04 41.38 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.665 1.576 . . . . 0.0 111.205 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.1 m -59.4 -27.15 65.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -175.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -81.4 -16.83 51.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -87.55 136.61 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 -176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.86 159.63 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -124.23 142.18 51.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.7 mt -94.38 128.94 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.2 p -107.72 -28.19 9.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -179.97 147.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -110.9 160.34 16.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -108.0 -61.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.248 -175.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -169.96 177.79 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 -171.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.29 129.89 65.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 49.7 t -148.16 139.96 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.227 -175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 58.1 35.04 24.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.217 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 64.98 21.0 12.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -122.74 138.74 54.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -94.72 131.92 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.214 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 138' ' ' HIS . 96.9 m-85 -114.35 114.84 26.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.65 -178.76 5.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.6 t -125.99 131.61 52.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 pt -130.74 164.67 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.436 ' HB3' ' HG3' ' A' ' 90' ' ' GLN . 15.2 ptm180 -151.2 -175.87 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -138.91 -150.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 172.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.6 m -66.08 -20.19 66.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.2 p -106.84 -108.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.216 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -98.59 173.5 6.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -163.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.436 ' HG3' ' HB3' ' A' ' 85' ' ' ARG . 30.2 tt0 -115.76 144.9 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 -173.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.8 tt -147.27 148.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.79 152.3 43.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.8 p -137.94 137.57 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -116.55 129.83 56.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -102.24 117.39 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.223 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 79.6 p -64.22 163.03 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -174.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -55.6 -40.14 71.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.2 -46.05 91.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 174.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.4 t -56.62 -48.34 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.73 -50.13 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -56.89 -50.0 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.76 -46.88 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.205 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.99 -45.66 71.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -40.96 95.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.16 -39.07 91.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.5 m -73.75 -50.04 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.8 m-70 -102.62 -9.15 20.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -167.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 54.87 40.13 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 28.8 p -161.64 176.12 11.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.249 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.02 158.72 17.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.83 -17.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 76.6 p -101.64 4.25 40.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.2 m -70.23 84.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 46.23 60.02 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.0 p -112.47 2.74 16.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.235 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.9 p -78.38 -5.48 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -171.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -124.14 19.94 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.64 168.42 9.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.17 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.2 tp -107.69 124.13 49.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.1 ptm -110.06 158.56 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -169.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.0 mm -126.7 132.35 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 173.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.3 154.4 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.56 154.55 25.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.4 t0 52.75 45.79 28.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.163 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -107.68 152.51 24.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.0 164.83 23.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 153' ' ' PRO . 59.4 tp -108.76 129.77 55.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.9 139.52 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -96.09 137.0 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.1 m -125.55 161.26 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.4 p -97.6 178.0 5.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -57.02 -55.74 30.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.5 p -59.53 -33.49 71.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 57.0 mmm-85 -66.21 -51.82 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.5 -30.17 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.199 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 66.4 ttp -70.03 -39.94 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.228 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 96.0 p -85.58 -22.57 27.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.406 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . 68.5 m-70 -103.27 -63.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -176.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -80.09 -9.41 59.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 69.18 30.85 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 141' ' ' ILE . 6.8 tp -149.13 120.02 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.9 t -65.25 143.38 57.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.2 -20.38 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.6 p -58.79 -23.16 59.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -174.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -99.98 -11.83 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.6 pt -137.82 32.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.2 p -162.61 164.72 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 176.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.0 p -104.18 -10.63 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 170.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -129.89 154.82 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -77.18 -15.27 59.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.9 mt -122.71 121.65 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.9 m -132.78 151.74 78.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.408 ' HB2' HD11 ' A' ' 127' ' ' LEU . 78.8 Cg_endo -75.86 144.63 27.74 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.648 1.566 . . . . 0.0 111.211 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 79.4 t -136.95 142.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.74 127.55 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -108.38 110.73 22.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.64 133.53 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 -170.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -106.37 -29.74 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.227 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -119.88 132.67 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -149.31 143.89 26.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.1 t -150.06 138.28 20.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 94.2 mt -125.67 127.6 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.186 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.88 145.7 51.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -76.96 71.85 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 96.6 mt -101.42 -58.66 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -115.88 118.18 32.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.22 130.93 49.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.26 140.89 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -74.54 170.56 53.69 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 90.1 p -79.3 165.62 23.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 111.211 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.48 ' O ' HD21 ' A' ' 171' ' ' LEU . 10.2 tt -73.27 102.37 3.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 85.8 p -69.33 157.7 36.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 38.1 p -86.34 65.08 8.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -163.61 120.49 1.18 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -74.11 151.61 44.47 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.721 1.614 . . . . 0.0 111.183 177.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . 0.431 ' HB2' ' H ' ' A' ' 90' ' ' GLN . 97.5 m-85 -119.17 -67.6 0.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.52 -33.85 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 178' ' ' TYR . 5.7 m-30 -86.95 -8.34 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -97.9 -29.47 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.224 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -119.93 36.75 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 -177.774 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.814 0.34 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -115.2 19.17 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -52.89 140.87 23.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.3 p -77.0 -8.9 58.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.211 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -51.5 -41.33 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -101.24 4.81 42.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.57 8.29 43.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.249 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -70.01 157.58 89.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.179 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.1 141.52 57.64 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.657 1.571 . . . . 0.0 111.232 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -139.66 -16.09 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 93.8 mt -75.84 -34.24 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.197 171.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.66 -39.97 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 169.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.93 84.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.195 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 22' ' ' ILE . 90.0 mt -62.17 -44.14 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.01 -47.63 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.99 -47.03 86.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.23 -36.9 81.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -116.34 39.47 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.192 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.6 p -68.5 -21.42 64.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -111.24 33.71 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.238 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -70.72 163.18 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -104.46 169.51 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -56.74 109.99 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 -176.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 66.95 23.04 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -83.29 120.4 75.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.05 152.37 31.46 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.682 1.588 . . . . 0.0 111.221 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.6 m -120.05 170.39 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.232 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.46 -165.44 16.56 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -66.17 137.79 57.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.174 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.7 m -121.82 -13.06 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 89.1 mt -118.94 129.8 25.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 172.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 95.7 Cg_exo -53.07 151.03 22.3 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 121.734 1.623 . . . . 0.0 111.157 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.0 t -64.38 136.58 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.217 -173.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.542 ' HB2' ' HA3' ' A' ' 123' ' ' GLY . 9.7 tp -85.4 140.07 31.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.21 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.8 p -101.89 170.26 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.95 -36.51 84.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.76 -37.63 88.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.71 -45.85 92.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.25 -48.5 78.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.167 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.18 68.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.5 mt -135.98 77.09 50.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -173.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -68.96 -26.14 31.7 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.657 1.572 . . . . 0.0 111.213 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -84.05 -3.69 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.2 mmm -110.21 14.07 22.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 t -117.69 107.58 44.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -53.91 -35.52 80.37 Favored 'Trans proline' 0 C--N 1.328 -0.535 0 C-N-CA 121.734 1.623 . . . . 0.0 111.206 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.2 m -54.56 -36.12 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.7 mt -83.78 -44.15 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.255 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.38 -31.1 70.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.189 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.7 p -102.47 10.83 38.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -130.94 113.35 16.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.64 -17.85 42.76 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.651 1.567 . . . . 0.0 111.175 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.5 m -64.54 -19.32 65.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -96.66 14.98 23.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.172 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.22 136.92 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.96 144.49 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -110.45 109.0 19.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.5 mt -75.31 123.09 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -97.38 -20.45 17.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -170.06 141.4 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.268 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.18 144.19 27.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 167.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -101.06 -59.74 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -170.4 170.23 7.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 -177.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.68 114.49 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.0 140.0 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 54.89 34.61 22.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.219 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 64.05 25.73 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.06 125.14 47.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.53 134.55 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -117.75 121.85 41.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.51 -177.81 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -175.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -127.88 139.83 52.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.2 pt -130.91 148.52 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.47 ' HB3' ' HG3' ' A' ' 90' ' ' GLN . 53.3 ptt85 -130.11 160.03 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.215 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -112.34 -141.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 167.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.0 m -101.22 17.5 22.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.193 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 t -139.13 -64.43 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -129.32 168.48 16.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.244 -172.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.47 ' HG3' ' HB3' ' A' ' 85' ' ' ARG . 62.8 tt0 -125.0 139.08 54.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -176.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.0 pt -132.05 174.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.9 mt -92.43 156.56 17.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.206 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.53 142.54 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -132.06 142.14 49.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -114.95 128.27 56.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 73.9 p -65.9 162.48 18.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -55.5 -40.03 71.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.237 174.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.95 -42.58 94.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 96' ' ' SER . 43.2 t -55.32 -52.21 64.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 175.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.99 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.6 m -56.58 -50.09 72.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -63.43 -45.37 91.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.213 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -54.96 -48.8 72.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.03 -42.9 79.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.65 -39.2 93.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.22 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -70.91 -49.63 43.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.246 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.415 ' NE2' ' OG1' ' A' ' 161' ' ' THR . 98.6 m-70 -99.73 -9.58 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -168.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 54.43 42.67 31.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.168 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.8 p -155.52 167.06 31.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.67 165.49 20.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.9 tp -65.48 -20.0 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.3 p -96.7 -9.68 28.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.1 t -96.6 124.13 40.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 60.04 37.81 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.6 p -124.61 -19.54 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.0 m -60.06 -41.54 92.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.5 p-10 -98.71 21.01 11.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 72.1 m -129.5 170.12 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.2 mt -100.48 138.71 37.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.251 172.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.0 tpp -85.35 129.15 34.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.235 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 43.1 mm -105.45 101.37 12.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.0 mt -98.81 137.28 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.542 ' HA3' ' HB2' ' A' ' 45' ' ' LEU . . . -147.63 170.59 28.35 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.8 t0 41.25 67.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.239 -171.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.74 145.22 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -124.83 150.02 46.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 49.4 tp -101.13 129.69 47.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.217 -174.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.1 177.22 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -127.6 139.37 52.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.58 160.1 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.1 p -91.74 176.75 6.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.255 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -50.1 -56.46 10.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 172.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.6 p -66.98 -35.95 81.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -59.99 -48.17 82.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.04 85.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 67.1 ttp -55.92 -39.86 72.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.233 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.0 t -75.94 -55.62 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -75.01 -50.01 17.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 -171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -97.05 -1.89 44.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.211 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt 66.34 30.05 9.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.5 tt -152.33 119.94 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 94.4 p -70.35 160.23 32.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.02 -36.86 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.198 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 80.8 p -75.72 -10.1 59.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.156 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -104.6 -0.84 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.252 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 47.2 pt -122.85 -18.73 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.8 p -148.25 177.49 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 98.6 p -91.17 0.47 57.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -119.61 150.25 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -116.42 -11.44 11.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 81.8 mt -88.97 96.95 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -120.88 131.5 24.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.36 144.01 32.17 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.7 1.6 . . . . 0.0 111.222 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 84.7 t -134.69 131.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 48.6 tp -93.76 110.62 22.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -88.0 114.12 24.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 81.1 t -107.41 125.93 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 -170.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -87.81 -41.59 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -133.47 143.51 48.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.246 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.88 20.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.415 ' OG1' ' NE2' ' A' ' 107' ' ' HIS . 14.4 t -139.11 -170.37 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 173.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 6.4 tp -140.62 146.66 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 -173.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -158.96 140.58 13.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.22 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -77.33 111.42 12.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -173.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 86.0 mt -131.58 -50.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -143.07 117.14 9.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.224 -173.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 66.0 tt0 -57.24 133.48 55.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.213 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 67.7 t -104.28 130.14 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.239 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.92 176.05 54.81 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 85.3 p -79.95 178.45 8.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.752 0.311 . . . . 0.0 111.236 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.7 129.44 41.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 88.1 p -151.12 173.67 14.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.247 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 88.7 m -55.52 120.18 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -159.54 137.07 7.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -51.38 136.9 47.92 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.729 1.619 . . . . 0.0 111.19 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.91 160.59 15.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.06 -49.72 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -68.6 -20.09 64.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -74.55 -35.9 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -120.43 33.37 5.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 40.9 tp . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -178.106 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.811 0.339 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -113.08 12.85 19.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.15 140.55 55.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.198 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 94.9 p -87.04 -3.12 59.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.62 -39.9 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -100.51 12.46 37.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.5 mt -114.47 19.13 16.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -64.66 159.0 65.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.239 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.71 130.22 36.07 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.713 1.609 . . . . 0.0 111.185 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -137.35 -21.5 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.26 -40.99 88.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.07 -53.71 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.254 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.93 -40.06 75.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tt -56.92 -59.97 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.269 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.6 pt -73.95 -20.1 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -77.49 -51.39 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.79 -30.56 70.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -110.94 35.16 3.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -65.29 -25.26 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -79.94 71.69 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -69.25 -15.8 63.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -79.09 -17.06 55.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -109.85 -19.89 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -55.07 126.0 22.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.206 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -59.98 127.49 85.74 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -53.99 -39.51 84.83 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.73 1.62 . . . . 0.0 111.21 -176.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.1 m -110.1 19.85 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.25 162.24 30.72 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -124.29 156.59 36.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 111.184 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.42 -45.93 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.218 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.17 123.24 49.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -56.37 150.86 48.01 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.748 1.632 . . . . 0.0 111.147 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.8 t -70.97 143.29 50.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.422 ' HG ' ' HA3' ' A' ' 123' ' ' GLY . 91.1 mt -78.18 135.98 37.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.222 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.3 p -84.62 173.59 10.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.242 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.15 -44.38 79.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -65.6 -40.71 92.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.83 -47.04 86.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.88 -42.44 81.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.98 66.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 mt -134.21 79.67 55.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -57.92 -36.73 97.99 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.723 1.615 . . . . 0.0 111.228 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -77.5 -8.14 57.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.9 mmm -105.06 16.37 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.211 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -123.11 92.72 48.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HA ' ' HB3' ' A' ' 60' ' ' LEU . 79.4 Cg_exo -53.86 -31.9 64.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.667 1.578 . . . . 0.0 111.254 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -54.43 -34.39 61.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.7 pt -109.68 -20.0 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.474 ' HB3' ' HA ' ' A' ' 57' ' ' PRO . 61.1 tp -68.35 -38.56 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.9 p -94.94 17.04 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -129.87 101.84 18.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -55.48 -27.96 61.81 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.671 1.581 . . . . 0.0 111.205 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.4 m -55.69 -29.94 60.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.475 ' HB3' HG23 ' A' ' 121' ' ' ILE . 36.7 m-70 -80.15 -18.03 50.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 -176.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -91.49 140.38 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 -173.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -151.29 159.94 44.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -150.02 124.02 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.9 mt -82.29 125.91 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.275 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.4 p -95.24 -23.11 17.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.238 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -167.42 140.06 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.05 147.25 25.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -119.92 -48.13 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -141.41 104.2 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -172.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.95 120.65 53.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.221 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . 80.7 m -127.58 -170.09 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.44 89.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 -176.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 64.19 15.1 9.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 76' ' ' CYS . 99.7 mttt -125.58 100.09 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.9 t -115.58 127.28 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -167.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -107.24 120.76 43.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 174.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.57 -177.12 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -125.76 139.18 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.4 pt -125.75 170.86 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -156.69 164.62 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -117.98 -149.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 171.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.2 m -78.42 -1.5 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 -171.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t -147.41 -61.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -89.88 169.91 10.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.215 -170.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -145.84 150.24 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 tt -157.13 146.73 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 -170.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.58 151.82 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 p -135.28 140.03 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -120.4 119.51 33.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -96.74 117.07 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.1 p -71.33 164.51 25.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.227 -171.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -50.23 -47.14 55.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.21 -45.66 92.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.223 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 46.1 t -54.91 -59.57 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.7 -40.3 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -172.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.2 t -59.86 -50.64 73.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.222 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -66.66 -40.66 88.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -55.0 -44.6 74.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -67.73 -41.48 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.261 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -56.89 -43.75 81.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.1 m -72.97 -51.5 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -103.91 5.83 35.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 -168.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 58.89 29.88 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.4 p -168.57 147.89 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -80.75 171.1 15.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.97 -17.38 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.193 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.5 p -84.74 -15.67 44.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.7 t -107.02 136.07 47.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 59.98 41.45 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.514 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 76.3 p -131.48 -10.13 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.5 m -52.7 -48.7 66.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -172.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -120.97 37.04 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.514 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 60.7 m -125.83 170.36 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.261 -175.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.43 123.95 45.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.8 ptp -112.82 160.23 18.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 -173.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.475 HG23 ' HB3' ' A' ' 65' ' ' HIS . 67.3 mt -117.83 139.1 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 169.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 47.1 pt -120.63 165.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.422 ' HA3' ' HG ' ' A' ' 45' ' ' LEU . . . -161.17 172.26 37.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.0 t0 55.0 45.55 26.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 156' ' ' ASN . . . -115.66 138.93 50.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.183 -170.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -124.31 151.65 44.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.214 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 62.8 tp -89.1 127.0 35.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.4 p -139.74 139.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.242 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -102.51 134.0 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.17 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.8 m -124.85 164.91 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.291 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 82.5 p -96.86 164.38 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.281 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -50.0 -43.13 50.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.8 p -55.98 -37.62 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.47 -37.82 56.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.196 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.42 72.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.239 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 79.5 mtm -81.35 -41.17 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.6 p -83.08 -28.71 29.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -170.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -110.97 -48.84 3.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -90.23 -8.32 51.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.252 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 57.9 38.09 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 141' ' ' ILE . 16.6 tt -150.03 119.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 177.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.5 t -71.35 141.77 50.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 82.2 mt -81.34 -15.11 56.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 82.9 p -76.66 -10.07 59.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -98.63 13.18 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.1 tt -144.29 -29.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.4 p -150.08 -179.57 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 88.0 p -101.26 14.0 33.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 171.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -89.17 150.63 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.205 -174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -99.48 -7.72 25.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.24 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -130.06 167.26 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.7 p -153.54 133.61 7.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.218 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.28 140.21 40.19 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.716 1.61 . . . . 0.0 111.234 175.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.26 140.16 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 47.4 tp -95.17 116.11 28.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.273 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 125' ' ' ALA . 43.0 t30 -97.44 111.46 23.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 86.9 t -103.55 142.36 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -170.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.66 -23.88 4.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -122.22 142.93 49.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 172.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.14 153.07 30.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.189 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.8 t -160.03 161.06 33.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 98.7 mt -88.51 129.32 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -100.14 -49.94 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.239 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -162.49 179.39 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 43.3 pt -100.13 35.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.221 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -79.57 110.82 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -75.57 135.78 40.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.261 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 92.0 t -120.81 144.16 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -59.01 160.75 14.75 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 82.1 p -82.99 -172.17 3.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.808 0.337 . . . . 0.0 111.184 -176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.47 155.05 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 78.3 p -85.65 179.31 7.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 99.7 m -77.81 -40.97 38.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -107.72 152.19 41.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 -173.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.31 158.49 48.44 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.669 1.579 . . . . 0.0 111.213 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -125.38 -60.22 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.37 -20.05 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -70.0 -23.14 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.279 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -74.5 -7.21 52.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -99.35 0.13 42.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 -178.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.771 0.32 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -80.06 -13.01 59.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -57.62 -40.58 79.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.2 p -73.36 -16.38 61.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -82.53 -44.78 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -78.0 -40.71 38.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.0 139.99 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.222 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -110.81 150.0 41.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.93 138.96 83.77 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.787 1.658 . . . . 0.0 111.187 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -139.94 -24.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.8 mt -69.38 -46.78 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.181 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -55.32 -55.93 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.89 79.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.227 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.2 tp -56.71 -56.95 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.9 pt -75.94 -18.5 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 -171.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -73.2 -42.47 62.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -67.42 -28.22 67.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -113.14 41.47 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.212 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.7 p -85.15 0.47 51.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.228 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -100.0 29.96 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -99.98 130.07 46.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.145 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -88.78 -168.62 2.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -68.24 122.99 19.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 69.12 25.15 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.01 135.01 90.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -49.44 140.47 27.44 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.722 1.615 . . . . 0.0 111.178 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.7 p -69.91 167.51 17.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.44 129.51 4.73 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -64.33 133.65 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.4 t -118.4 -57.58 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 mp -106.15 121.51 45.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.197 -174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -55.19 155.01 20.79 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.691 1.594 . . . . 0.0 111.229 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -70.32 148.39 48.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 84.2 mt -110.02 158.69 17.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.3 p -105.84 177.07 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.78 -42.33 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.67 -39.59 88.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 71.0 m-20 -64.95 -42.73 94.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.63 -34.26 67.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.08 -43.28 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.234 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.2 mt -135.12 76.9 56.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -57.43 -38.28 94.79 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.676 1.584 . . . . 0.0 111.186 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -75.3 -10.06 59.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.4 mmm -99.86 2.41 43.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -113.36 108.6 52.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -53.56 -37.76 83.19 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.69 1.594 . . . . 0.0 111.284 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.7 m -52.49 -37.57 57.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.255 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.8 -48.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.62 -40.05 92.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -167.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.3 p -88.88 -5.03 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -169.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -120.09 117.37 32.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -68.64 -14.85 40.34 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.691 1.594 . . . . 0.0 111.19 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 95.6 m -63.57 -20.75 65.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -94.64 0.28 54.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.186 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -106.57 144.65 32.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.255 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.85 156.14 40.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -124.19 94.99 4.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 mm -65.67 130.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.184 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.0 p -100.54 -28.35 12.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -173.39 147.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -97.69 129.91 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 170.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -90.16 -56.29 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.168 -169.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -164.17 172.62 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.0 t -129.61 128.88 66.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.448 ' SG ' ' HE2' ' A' ' 140' ' ' LYS . 51.0 t -150.12 143.34 25.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -177.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 62.49 30.29 17.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 64.07 23.15 13.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.25 148.16 49.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.81 129.16 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -172.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -113.23 123.12 49.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 -173.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.59 -179.29 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 -173.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.0 m -122.43 138.96 54.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.243 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -113.98 134.53 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -105.43 134.56 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.251 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -116.79 -159.86 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p -61.18 -26.85 67.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.4 t -121.61 -67.22 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -123.73 -178.26 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -167.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -106.03 154.86 20.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 tt -139.85 140.1 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 175.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.7 144.46 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.1 p -135.02 140.09 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -119.85 117.57 28.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -94.17 123.44 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 72.6 p -69.46 165.81 20.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -174.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -58.35 -41.85 85.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.218 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.13 -35.43 78.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.8 t -56.27 -52.63 63.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 174.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.12 -43.82 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.222 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -56.6 -50.05 73.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.39 -45.64 90.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.211 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -51.55 -46.69 63.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.46 -39.99 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.89 -36.32 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.1 m -76.94 -53.19 8.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.441 ' NE2' ' OG1' ' A' ' 161' ' ' THR . 92.8 m-70 -101.36 -3.26 29.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -167.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.23 41.56 31.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.6 p -160.74 170.97 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.43 155.26 38.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 13.8 tt -67.87 -13.98 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 66.6 p -92.45 -5.15 52.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.0 t -99.38 126.19 45.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 59.91 41.28 18.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.9 p -128.11 -9.77 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.8 p -98.64 -20.8 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 171.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -95.95 1.36 52.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 58.1 m -133.9 172.48 12.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 98.5 mt -87.4 140.32 29.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.2 tpp -96.29 131.24 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.252 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.6 mm -104.35 130.36 55.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 97.2 mt -101.47 137.27 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.276 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.2 149.71 20.62 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 173.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.4 t0 44.32 73.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.338 . . . . 0.0 111.224 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -131.33 136.68 48.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -115.61 146.74 41.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 53.9 tp -83.01 126.63 32.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.86 138.08 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -93.51 126.05 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.266 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.49 132.49 62.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 72.7 p -87.48 166.08 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -50.65 -45.28 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.6 t -57.07 -51.59 68.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.24 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -68.54 -29.93 68.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.25 77.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.21 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.9 mtm -78.63 -30.22 46.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.266 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 73.3 m -82.65 -37.13 25.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -110.32 -52.81 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -171.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.88 -19.05 60.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.448 ' HE2' ' SG ' ' A' ' 76' ' ' CYS . 74.1 mmtt 64.83 34.17 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.0 tt -159.58 127.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.9 t -63.76 144.96 56.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.32 -17.57 60.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 87.3 p -74.41 -8.9 57.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.08 -9.86 32.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.7 pt -126.42 -17.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.4 p -147.46 -179.99 7.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.225 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.8 p -100.57 9.56 42.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 172.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.52 154.51 25.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.174 -174.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -97.7 9.95 41.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.0 tt -156.51 129.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.18 153.63 78.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.76 140.0 37.96 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.703 1.602 . . . . 0.0 111.191 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 89.2 t -132.52 140.2 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 91.8 mt -89.64 112.13 23.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -93.39 100.61 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.9 t -101.76 124.02 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.211 -169.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -99.96 -20.01 16.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -136.31 142.3 43.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -148.68 151.42 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.257 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.441 ' OG1' ' NE2' ' A' ' 107' ' ' HIS . 13.4 t -159.33 -179.7 8.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.202 174.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 97.2 mt -103.68 136.66 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -91.0 -67.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.204 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -158.46 160.38 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.6 mt -77.47 79.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -174.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -117.38 107.25 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.259 169.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -60.0 139.98 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -171.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 91.3 t -112.24 140.13 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -61.66 152.03 42.86 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 85.4 p -70.33 161.31 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 111.166 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.86 123.57 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 65.5 m -120.79 167.26 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 40.6 p -78.55 66.05 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.271 -177.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 175' ' ' PRO . 22.5 m-30 -109.48 149.97 40.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 174' ' ' PHE . 72.8 Cg_exo -58.11 147.3 84.04 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.723 1.616 . . . . 0.0 111.196 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -90.43 172.82 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 35.5 m -74.87 5.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.237 -172.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -56.37 -24.61 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -67.87 -16.8 64.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -109.99 11.67 23.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--O 1.201 -1.47 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -178.695 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.802 0.334 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.8 p -112.98 14.04 19.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -55.27 137.96 46.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.3 p -81.51 -7.89 59.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.37 -25.8 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -116.91 5.23 12.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -102.94 29.52 5.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.214 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -106.99 154.05 40.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.62 142.1 90.82 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.696 1.597 . . . . 0.0 111.246 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -141.04 -20.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 176.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.85 -40.67 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -53.65 -59.83 4.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.256 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.57 94.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.41 -51.21 63.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.278 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.5 mm -83.26 -35.45 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -174.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.38 -40.06 77.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.9 -11.2 59.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -125.65 39.61 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.0 p -77.51 -19.96 55.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -82.7 61.35 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -100.04 160.03 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 -176.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -103.39 176.04 5.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.257 172.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -65.99 112.45 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.9 t80 63.83 62.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -109.94 104.74 56.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -174.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -79.51 149.87 21.59 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.677 1.585 . . . . 0.0 111.172 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -129.89 -163.46 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.228 173.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.79 -161.46 35.44 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 96.9 m-70 -80.05 142.9 34.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.174 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.51 -15.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.203 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.9 mt -113.74 127.58 26.67 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -53.05 145.34 42.45 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.736 1.624 . . . . 0.0 111.237 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.4 p -76.45 159.93 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.9 mt -117.34 158.21 24.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 177.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.6 p -110.36 175.99 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 176.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.25 -40.83 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.41 -38.19 90.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -69.41 -38.0 77.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.2 -39.54 86.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.99 -43.33 71.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.65 70.47 79.27 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -175.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.33 -25.64 30.38 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.669 1.579 . . . . 0.0 111.204 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -80.06 -4.92 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.6 mmm -110.23 13.04 23.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -113.92 109.16 50.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -55.16 -32.39 79.91 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.664 1.576 . . . . 0.0 111.253 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.4 p -66.37 -20.05 65.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.266 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -97.6 -40.11 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.73 -39.71 94.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.252 -173.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.0 p -114.95 37.26 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -172.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -143.7 109.89 5.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.257 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -55.2 -30.2 70.28 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.738 1.625 . . . . 0.0 111.19 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.02 -15.71 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.189 -175.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -99.84 26.82 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.208 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -136.45 129.12 30.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.201 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.98 159.17 44.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.176 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -115.45 129.99 56.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.7 mt -79.74 134.06 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.4 p -107.74 -42.57 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.179 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -176.17 145.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.459 ' CD2' ' HB3' ' A' ' 82' ' ' ALA . 88.1 m-85 -99.67 146.99 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.197 172.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.96 -47.23 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -132.3 100.56 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.251 -174.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.1 t -104.44 112.29 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -177.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 76.6 m -129.69 159.91 34.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.223 175.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -53.13 105.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.403 ' HB3' ' HG3' ' A' ' 97' ' ' GLN . 87.3 m-85 60.3 38.87 19.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 88.4 tttt -165.95 86.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.224 176.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.9 t -119.94 137.53 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -170.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.62 131.92 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.459 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . . . -145.46 -177.33 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.185 -174.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.2 t -121.85 142.16 50.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 175.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.4 pt -137.83 166.68 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.468 ' HB3' ' HG3' ' A' ' 90' ' ' GLN . 9.2 ptm180 -148.51 159.76 43.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.141 175.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -103.77 -141.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.2 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.7 m -91.81 9.62 31.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.6 t -143.45 -68.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -111.98 166.83 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 -166.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.468 ' HG3' ' HB3' ' A' ' 85' ' ' ARG . 65.0 tt0 -124.2 138.87 54.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 -174.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.6 pt -137.68 178.88 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.2 mt -106.06 157.08 17.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 172.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.53 139.86 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -106.36 135.83 47.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.147 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.401 ' HD1' ' SG ' ' A' ' 99' ' ' CYS . 93.7 m-85 -103.25 111.14 23.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 174.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.3 p -72.28 165.98 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HG3' ' HB3' ' A' ' 78' ' ' TYR . 63.7 tt0 -55.92 -40.92 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.24 174.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.24 -43.14 98.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.276 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.401 ' SG ' ' HD1' ' A' ' 95' ' ' PHE . 43.5 t -58.08 -55.42 35.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.31 -41.19 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -62.4 -51.25 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.47 -44.86 93.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.02 -41.38 71.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 174.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.09 -41.1 86.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.82 -41.16 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.2 m -74.16 -47.96 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.272 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -104.01 -4.47 23.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -168.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.01 42.28 31.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.191 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.13 172.37 14.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -80.04 152.94 29.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.2 tp -60.5 -19.98 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.2 p -97.54 -16.35 20.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.6 t -57.79 97.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -168.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 53.56 42.39 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.439 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 81.4 p -109.6 -6.28 15.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.257 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.9 m -55.28 -36.1 65.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.247 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.411 ' HA ' ' HB ' ' A' ' 168' ' ' VAL . 53.4 p-10 -112.08 28.09 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 70.8 m -116.48 170.7 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.1 mt -99.78 153.67 18.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 58.9 ttp -131.47 139.99 49.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -170.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 95.5 mt -105.95 114.45 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 172.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 95.4 mt -93.08 134.79 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.19 148.55 19.97 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.0 t0 51.29 70.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.151 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.24 113.46 25.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 11.1 t0 -82.14 123.56 29.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 60.4 tp -88.37 121.73 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.6 m -139.65 143.4 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -91.53 131.57 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.222 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.86 159.99 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.4 p -90.09 164.64 14.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.17 -173.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -49.96 -41.7 47.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.4 t -55.78 -50.16 71.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.0 mmt180 -61.14 -38.08 85.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.29 79.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 99.0 mtp -82.31 -33.18 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.4 t -70.21 -48.97 54.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.231 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -108.86 -46.81 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -80.52 -19.46 45.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 64.12 39.92 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 141' ' ' ILE . 16.7 tt -148.65 120.06 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.5 t -66.53 134.67 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.44 -20.0 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 87.7 p -58.86 -24.17 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.188 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.04 20.73 17.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.596 ' O ' HG12 ' A' ' 146' ' ' ILE . 21.3 tt -169.35 30.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -177.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.7 p -160.94 169.58 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.262 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 88.1 p -110.22 -10.1 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 169.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -132.56 159.98 37.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -83.36 -2.4 55.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.3 -174.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.47 124.77 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -133.58 149.85 73.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 -171.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.47 141.73 16.0 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 121.729 1.619 . . . . 0.0 111.18 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.32 160.02 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.265 172.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.9 mt -109.8 122.6 47.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.261 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -91.88 103.62 16.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 171.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.4 t -94.75 131.8 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -169.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -105.39 -24.11 12.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -126.96 135.39 50.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -157.6 139.0 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 81.0 p -124.92 155.43 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 162.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 82.8 mt -135.06 130.01 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -134.71 152.59 51.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -96.66 40.14 1.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.204 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 98.0 mt -58.1 -42.21 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -134.91 117.11 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.19 129.92 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -176.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.411 ' HB ' ' HA ' ' A' ' 117' ' ' ASN . 85.7 t -91.33 139.88 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -82.77 -146.84 6.49 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 86.3 p -69.77 166.31 19.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.85 0.357 . . . . 0.0 111.18 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.84 110.03 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 93.3 p -78.16 160.41 28.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 73.9 p -125.85 55.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -75.98 153.54 84.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -53.46 109.94 0.43 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 121.625 1.55 . . . . 0.0 111.18 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -69.96 159.92 32.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.98 -13.28 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -72.28 -13.45 61.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -80.72 -27.29 36.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -117.68 43.46 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 -167.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -177.551 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.5 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.796 0.332 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -80.38 -11.49 59.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.6 -31.37 66.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.3 p -61.39 -20.0 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.231 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.53 -42.43 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -110.94 -1.61 16.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.253 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.5 mt -103.31 77.33 1.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -119.4 159.41 45.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.72 121.71 9.67 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.756 1.637 . . . . 0.0 111.125 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -140.24 -24.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.6 mt -65.52 -40.71 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -63.09 -54.44 37.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.34 79.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -53.75 -56.68 15.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -83.1 -27.52 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 -175.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.36 -39.99 77.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 174.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -88.16 -11.51 46.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -128.94 48.76 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.3 m -69.95 -20.24 63.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.255 -174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -79.47 73.66 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -70.16 -16.85 63.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.251 -173.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -91.07 -11.22 39.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -110.06 -29.96 7.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -61.59 144.32 54.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.201 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -52.29 128.89 41.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -53.65 -37.58 83.7 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.657 1.571 . . . . 0.0 111.234 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.9 m -113.3 26.56 10.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.79 146.06 42.79 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.48 145.17 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.327 . . . . 0.0 111.231 -172.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -94.98 -49.88 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.8 pt -127.79 156.1 76.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.49 155.04 22.27 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.753 1.635 . . . . 0.0 111.183 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.4 t -76.4 127.88 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.6 mt -87.77 156.6 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.6 p -108.07 177.61 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.23 -35.31 73.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.176 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -67.22 -37.88 84.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -69.12 -39.35 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.05 -32.73 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.37 -41.12 66.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 175.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.9 mt -133.94 70.64 74.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 -175.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.7 -25.08 34.3 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.69 1.593 . . . . 0.0 111.242 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -80.03 -4.23 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.238 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.5 mmm -110.07 14.92 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.6 t -122.74 102.65 38.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -55.33 -32.27 80.54 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.709 1.606 . . . . 0.0 111.189 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.8 p -63.41 -23.7 67.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.226 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 121' ' ' ILE . 89.2 mt -91.03 -46.21 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.191 172.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.06 -38.12 81.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.291 -171.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.6 p -101.84 25.52 8.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.25 -170.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.453 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 58.0 t-20 -146.35 106.5 4.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -56.26 -24.8 52.82 Favored 'Trans proline' 0 C--N 1.327 -0.553 0 C-N-CA 121.769 1.646 . . . . 0.0 111.174 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.453 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 71.9 m -71.9 -8.53 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -172.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -96.7 2.95 52.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.78 139.91 45.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.58 137.18 31.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -118.74 107.8 14.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.645 ' N ' HD13 ' A' ' 69' ' ' ILE . 1.3 mp -78.25 122.33 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -174.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -92.83 -22.44 19.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -171.43 139.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -93.02 134.61 34.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 164.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -111.76 -41.83 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -173.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -140.68 100.52 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.19 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.2 t -108.56 115.69 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . 86.7 m -130.04 -175.61 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -57.76 95.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.464 ' HB3' ' HA ' ' A' ' 97' ' ' GLN . 18.1 m-30 60.25 30.13 19.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 76' ' ' CYS . 93.6 mttt -140.04 90.08 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -108.41 129.03 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -119.77 121.32 38.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.48 -171.67 3.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -174.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.2 p -134.64 147.13 50.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 171.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.4 pt -127.25 146.46 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.237 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 -133.59 120.05 20.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -83.24 -149.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.211 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.5 m -88.11 9.99 20.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -137.1 -70.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -120.88 153.85 36.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 -165.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -103.7 145.02 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.5 tt -141.23 145.48 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.36 146.42 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.57 138.42 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -177.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -120.05 130.52 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -104.57 125.44 50.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 64.7 p -72.24 168.37 18.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -171.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 66.9 tt0 -56.99 -46.41 82.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 174.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.06 -40.03 95.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.8 t -55.35 -58.28 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.18 -36.6 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 t -58.86 -50.05 75.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.12 -46.72 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -51.76 -45.5 63.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.81 -47.03 82.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.26 -37.06 85.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.5 m -70.09 -50.03 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.435 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 96.8 m-70 -102.17 -8.69 21.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.222 -168.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 49.89 47.0 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 24.9 p -159.72 176.88 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.01 162.69 16.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.5 tp -64.04 -19.96 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 63.3 p -97.62 -16.75 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.4 m -56.1 95.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -169.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.424 ' O ' ' SG ' ' A' ' 118' ' ' CYS . 96.7 mt-10 51.76 40.72 28.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 80.7 p -102.0 -5.98 23.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 91.5 m -56.1 -39.78 72.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -109.03 26.32 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 114' ' ' GLU . 72.3 m -116.43 169.93 8.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.22 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.471 ' HB3' ' HB ' ' A' ' 165' ' ' ILE . 55.1 tp -113.94 124.92 53.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.182 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.459 ' SD ' HD12 ' A' ' 69' ' ' ILE . 55.5 ttm -85.57 141.39 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.406 HG21 HD11 ' A' ' 59' ' ' ILE . 43.8 mm -109.78 124.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.221 166.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.4 pt -113.4 152.8 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -172.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.61 162.49 30.76 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 45.1 t0 48.85 71.14 0.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 111.252 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.32 134.59 52.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -105.67 135.17 47.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.8 120.83 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.409 HG21 ' HB ' ' A' ' 154' ' ' VAL . 27.9 m -138.32 -162.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.242 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -154.01 164.97 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.4 p -136.63 140.06 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.7 p -85.33 170.02 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.289 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -52.48 -59.65 4.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 m -63.73 -42.67 97.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.201 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 61.8 ttt85 -62.87 -43.27 99.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.52 69.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 97.3 mtp -72.28 -26.34 61.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.8 p -96.67 -20.04 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -109.53 -53.76 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.22 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 73.8 m-85 -89.21 -18.73 26.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 86.8 mttt 69.39 31.35 3.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 -172.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 89.2 mt -131.06 121.41 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 44.2 t -75.66 133.22 40.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 166.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 85.6 mt -101.83 -37.89 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -169.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 90.4 p -74.13 -10.41 59.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -109.56 5.05 22.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.3 pt -127.49 -20.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.218 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.4 p -134.54 179.99 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 67.0 m -85.84 -4.56 59.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -118.49 134.16 55.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -75.4 -11.81 60.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 174.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 97.4 mt -124.02 137.4 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.1 t -128.51 133.27 24.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -65.27 145.52 83.99 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.583 1.522 . . . . 0.0 111.268 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.409 ' HB ' HG21 ' A' ' 128' ' ' VAL . 79.1 t -130.39 143.35 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 -176.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 87.4 mt -96.71 117.5 31.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -92.11 98.47 11.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 88.0 t -94.69 123.76 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.24 -170.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -99.95 -20.04 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -130.02 136.11 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 174.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -152.51 145.87 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.413 ' O ' HG21 ' A' ' 161' ' ' THR . 15.2 t -156.7 128.67 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.233 176.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 91.4 mt -109.75 129.57 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -169.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.33 149.96 52.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -75.13 74.98 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.197 -178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.471 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 87.8 mt -102.92 -50.37 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 -178.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -138.87 119.01 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -173.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -59.69 140.91 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 67.3 t -92.18 140.89 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.04 -160.17 9.39 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.0 p -76.23 168.16 20.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.235 -174.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 47.5 tp -84.91 124.58 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 59.5 p -71.51 161.26 31.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 89.8 m -75.17 -31.01 60.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.214 -174.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -162.36 153.25 14.69 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -55.28 156.58 16.48 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 C-N-CA 121.711 1.607 . . . . 0.0 111.154 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -122.98 -17.02 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 -174.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.85 -23.19 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -59.04 -23.32 61.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.29 -19.4 54.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.125 -172.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -127.09 65.08 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -174.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.797 0.332 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.4 p -94.24 -4.03 49.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.191 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -53.09 133.1 38.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.6 m -58.96 166.28 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -54.39 -46.67 70.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -76.85 -7.69 55.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.219 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -98.31 0.12 44.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -67.81 157.18 87.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -63.94 143.18 84.65 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.727 1.618 . . . . 0.0 111.233 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -141.04 -23.93 0.75 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.223 -176.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.12 -55.87 18.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.98 -39.93 72.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.13 75.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.63 -30.34 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.46 -49.93 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -61.21 -40.21 93.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.225 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.26 -25.7 67.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.225 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -119.46 33.26 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.219 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -88.6 8.63 27.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.178 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -99.96 30.64 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -110.44 -179.1 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.215 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -91.67 171.29 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -68.78 127.8 34.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 60.03 57.69 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 -171.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -137.42 89.92 15.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -174.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -55.92 145.98 70.62 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.654 1.569 . . . . 0.0 111.258 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -107.82 -169.98 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.05 -166.62 34.0 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -69.66 138.7 53.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 111.194 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.44 -19.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 -177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.437 ' HB ' ' HB1' ' A' ' 125' ' ' ALA . 83.8 mt -120.03 115.23 33.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 171.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -55.51 155.41 21.17 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.698 1.599 . . . . 0.0 111.165 -176.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.8 p -76.33 159.14 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt -109.87 149.46 29.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 p -80.81 173.99 12.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -55.73 -44.7 77.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.81 -41.9 86.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.72 -40.88 98.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.35 -33.18 71.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.52 -45.83 91.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.217 176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.7 mt -139.38 75.69 32.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.232 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -59.14 -35.53 97.62 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.716 1.611 . . . . 0.0 111.219 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -81.66 -0.17 41.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 96.4 mmm -114.77 8.54 16.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -106.74 112.55 63.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -55.12 -36.19 92.43 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.714 1.61 . . . . 0.0 111.265 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.5 p -65.21 -22.84 66.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.3 mt -90.47 -43.88 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.238 173.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.51 -30.29 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.21 -172.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 73.5 p -98.28 15.69 23.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 47.4 t-20 -140.16 111.21 7.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.18 -15.4 31.87 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.693 1.595 . . . . 0.0 111.222 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.401 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 92.2 m -65.3 -23.13 66.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -88.04 -1.85 58.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -109.58 156.01 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.32 156.81 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -127.81 103.51 7.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.8 mt -71.83 128.66 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.21 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.1 p -106.01 -27.24 11.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -175.27 140.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.241 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -102.76 159.97 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.466 ' O ' ' HB3' ' A' ' 74' ' ' ASN . 98.4 m-85 -106.82 -55.59 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.23 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 73' ' ' TYR . 17.3 p30 -179.61 -171.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -171.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.96 156.88 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 41.9 t -162.71 137.49 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.237 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 55.33 37.31 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 65.51 22.89 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -117.04 155.0 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.6 t -108.91 133.99 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -120.97 120.43 35.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.14 -175.86 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.239 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.496 ' HG ' HD21 ' A' ' 92' ' ' LEU . 22.4 m -122.29 140.19 52.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.202 174.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.6 pt -125.0 170.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 176.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -153.14 170.63 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -132.79 -149.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.8 m -57.84 -28.75 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -98.91 -109.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -110.88 -174.44 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 -167.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -94.9 165.75 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -173.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.1 tt -160.0 144.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.496 HD21 ' HG ' ' A' ' 83' ' ' SER . 90.0 mt -66.8 145.58 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.3 p -135.96 148.45 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.19 139.84 39.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.232 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -111.08 126.35 54.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 59.5 p -63.89 161.91 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -173.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -56.26 -41.07 75.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.09 -39.9 90.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 96' ' ' SER . 39.5 t -58.19 -46.82 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.52 -49.67 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.4 m -56.39 -50.28 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.177 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.62 -49.23 71.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -52.44 -45.71 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.95 -40.36 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.71 -39.04 92.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.5 m -73.34 -50.05 24.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -104.62 -4.49 22.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -168.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.83 41.09 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.0 p -159.32 166.88 30.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -88.66 159.51 17.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.581 ' O ' HG22 ' A' ' 111' ' ' ILE . 97.4 mt -78.48 -5.77 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -178.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 81.3 p -100.93 -6.28 24.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 174.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.4 t -101.27 108.35 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -174.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 59.74 43.66 15.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 173.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.5 p -113.34 -12.31 13.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.0 p -81.54 -10.91 59.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -170.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -124.21 20.02 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 77.4 m -126.81 165.11 19.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 60.3 tp -95.26 120.86 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 92.1 mmm -90.86 149.1 22.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.199 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 77.1 mt -126.63 111.44 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.242 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.0 pt -114.04 160.02 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 -170.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -155.37 165.06 32.26 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.1 t0 53.18 54.78 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.163 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' A' ' 42' ' ' ILE . . . -115.83 138.05 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -114.49 134.39 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.6 tp -86.15 122.5 30.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 32.9 m -130.19 173.01 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -120.81 132.79 55.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 93.1 t -118.53 136.04 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.0 p -81.95 168.55 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.27 -40.41 86.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 99.8 p -70.08 -39.65 75.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.268 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.59 -29.85 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.222 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.83 -16.85 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 99.2 mtp -88.91 -25.64 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 92.8 p -92.02 -19.91 21.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.2 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -102.56 -65.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -89.57 -18.27 26.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 87.5 mttt 64.98 36.91 7.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.6 tt -151.46 128.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.4 t -59.96 143.24 52.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.247 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.57 -3.69 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.8 p -66.34 -19.78 65.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 170.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -103.69 9.74 37.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.277 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.4 mm -119.62 -40.65 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.8 p -143.98 -177.66 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.223 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.2 p -88.3 -0.35 57.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.72 -179.97 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -98.12 32.25 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.159 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 151' ' ' ILE . 16.2 tt -145.8 121.38 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.96 130.2 18.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.65 144.39 44.27 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.748 1.632 . . . . 0.0 111.21 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 62.7 t -133.47 141.01 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 155' ' ' LEU . 4.2 mm? -89.95 112.52 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -92.43 99.55 12.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 99.4 t -92.19 140.19 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -171.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -114.71 -31.34 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -120.68 136.93 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 172.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -150.39 135.25 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 64.7 p -131.22 169.11 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 166.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.16 134.52 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -139.35 145.27 38.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -82.01 67.77 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 94.8 mt -100.25 -48.3 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.272 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -134.4 111.36 10.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.44 130.28 46.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.64 139.16 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.206 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.0 166.6 54.49 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 88.2 p -76.78 162.2 27.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.271 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.52 138.44 56.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 60.1 p -68.72 -178.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 81.9 p -77.14 -13.6 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.227 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -160.04 112.98 1.43 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -55.1 144.24 70.38 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.677 1.585 . . . . 0.0 111.196 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -103.91 27.14 7.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.77 -21.69 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -65.0 -17.09 64.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.51 -16.7 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -96.63 -2.94 43.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.203 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.214 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.3 p -103.75 16.92 25.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.34 147.77 39.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.5 p -68.1 -16.76 64.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 -173.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 m -69.68 -14.94 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -98.83 4.3 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.8 mt -95.91 73.18 3.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.84 156.81 72.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.61 130.17 32.5 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.698 1.599 . . . . 0.0 111.213 178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.478 ' CE3' ' HB3' ' A' ' 64' ' ' CYS . 8.8 t90 -142.58 -35.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.03 -42.49 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.92 -43.68 94.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.72 95.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.15 -37.02 85.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.234 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.77 -48.14 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.241 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.25 -39.47 79.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.51 -22.63 67.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.243 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -109.99 11.68 23.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.5 t -103.73 146.45 28.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -154.92 167.49 30.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.252 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -73.84 -19.95 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -85.02 171.75 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 176.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -55.05 127.63 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.226 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -61.0 155.18 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -73.33 133.35 80.88 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -48.09 -39.17 33.35 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.654 1.569 . . . . 0.0 111.272 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.8 p -130.1 40.03 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.85 102.0 0.04 OUTLIER Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -64.09 125.67 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 0.0 111.187 -175.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -110.13 -58.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.6 mt -107.54 129.4 24.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.229 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -53.51 149.24 31.5 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.7 1.6 . . . . 0.0 111.165 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -76.57 139.58 40.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.5 mt -102.28 148.74 25.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.268 173.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.8 p -88.73 173.97 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.26 -42.15 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.235 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.87 -41.01 88.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -68.36 -42.93 78.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.6 -39.92 73.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.06 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.9 mt -130.91 71.44 82.4 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.34 -28.36 33.22 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -76.47 -7.72 55.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.242 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.4 mmm -104.79 16.21 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -133.78 82.58 49.75 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.206 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 88.7 Cg_exo -53.86 -31.22 61.5 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.776 1.651 . . . . 0.0 111.184 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.3 m -51.27 -40.46 58.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 pt -101.48 -18.45 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.257 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 86.2 mt -66.13 -23.71 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 173.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.5 p -96.82 6.35 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.477 ' HB3' ' SG ' ' A' ' 64' ' ' CYS . 96.8 m-20 -115.09 105.56 52.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 41.6 Cg_endo -69.2 -14.14 37.34 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.753 1.636 . . . . 0.0 111.152 -175.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.478 ' HB3' ' CE3' ' A' ' 21' ' ' TRP . 32.0 p -66.4 -16.87 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -102.65 5.21 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -109.96 132.39 54.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.68 142.65 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -110.29 120.14 41.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.1 mt -83.94 129.97 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -109.71 -34.31 6.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.215 -171.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -169.96 143.2 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 96.7 m-85 -100.11 147.34 25.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 168.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -105.44 -57.63 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -170.99 164.82 7.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -174.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.5 t -122.86 92.85 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.4 m -103.66 145.09 30.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 56.75 35.42 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 61.66 23.63 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.95 141.43 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.462 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 92.5 t -92.88 133.27 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.244 -175.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -119.85 121.54 39.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.232 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.443 ' HB3' ' CD1' ' A' ' 72' ' ' PHE . . . -144.97 -174.57 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 -172.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.4 t -128.4 138.68 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.236 173.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.9 pt -129.53 168.73 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -145.19 160.01 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -110.16 -142.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.212 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.3 m -87.71 5.59 39.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -174.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t -146.67 -63.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.204 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -108.91 167.24 10.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -165.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -125.64 144.66 50.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.268 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.1 tt -149.69 150.14 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -175.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.6 152.49 42.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 p -138.3 141.22 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -111.28 153.35 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 171.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.462 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 88.8 m-85 -123.15 118.18 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.226 171.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.5 p -66.07 164.05 16.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.284 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -58.61 -37.51 76.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.249 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.16 -42.0 94.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 48.8 t -59.67 -45.43 92.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.33 -52.75 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.232 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.5 m -57.64 -49.93 74.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.214 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.77 -46.18 90.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -56.71 -42.83 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.85 -40.7 91.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.232 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.31 -39.68 95.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.3 m -73.03 -49.33 29.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -104.05 -4.72 22.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -167.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.24 37.12 28.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 30.9 p -163.09 168.26 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.93 157.16 26.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.55 -27.66 43.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.4 p -85.16 -14.0 48.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 t -86.41 113.32 22.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -170.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.05 46.22 11.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 173.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.538 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 42.1 p -137.8 0.21 2.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.255 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.8 m -57.94 -29.87 65.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -125.69 22.07 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.538 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 90.3 m -102.43 173.61 6.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -175.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.1 tp -102.41 121.6 42.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 48.4 ttp -89.95 129.98 36.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.4 mm -101.33 107.74 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 168.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.62 139.96 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -164.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -115.9 -124.45 3.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -49.99 117.04 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 111.203 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.46 144.49 27.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.21 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -118.12 164.36 15.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 53.0 tp -93.89 126.73 39.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.13 124.95 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -84.34 137.47 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.262 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 20.9 m -123.98 151.2 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 50.2 p -86.86 167.52 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -51.13 -43.5 61.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.3 t -59.16 -49.61 77.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.89 -34.46 77.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.91 -39.34 79.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 79.0 mtm -74.12 -28.29 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.0 t -75.23 -59.88 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -89.9 -43.4 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -91.99 -20.26 21.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.224 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 65.63 31.78 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 31.7 mm -129.97 118.9 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 t -67.48 134.36 51.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.233 174.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 78.1 mt -79.89 -23.64 41.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.275 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.6 p -63.81 -19.81 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.264 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -97.36 -9.58 27.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.255 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.4 pt -129.97 -5.39 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 33.4 t -152.95 154.66 35.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 96.6 p -86.42 -4.05 59.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.92 157.11 27.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.249 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -96.1 16.24 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.85 127.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.5 m -134.21 152.88 79.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 -171.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.86 139.9 22.61 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.697 1.598 . . . . 0.0 111.201 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 96.0 t -132.44 139.85 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.187 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 49.7 tp -87.27 111.64 21.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -96.19 116.11 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.5 t -91.03 130.0 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.251 -172.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -101.45 -42.37 6.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -132.09 131.87 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -170.53 150.23 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 46.7 p -128.72 159.91 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.204 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 74.5 mt -127.47 130.99 70.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -174.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -130.13 150.45 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -80.85 68.02 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 95.6 mt -101.8 -51.97 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.294 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -123.73 117.94 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -64.52 129.83 41.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 55.6 t -109.3 143.68 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.254 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.96 -164.8 27.94 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 86.6 p -85.03 175.5 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -174.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.13 130.45 44.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 65.0 m -72.48 155.4 40.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 175.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 93.7 m -49.4 -42.36 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 -173.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -152.93 143.99 16.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.37 117.93 4.48 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.732 1.622 . . . . 0.0 111.203 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -77.83 -18.08 56.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 -170.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.46 -31.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.231 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 178' ' ' TYR . 4.5 m-30 -80.74 -16.96 52.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.226 -178.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.33 -36.82 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -176.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -110.44 23.18 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 -179.437 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.833 0.349 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.9 m -67.37 123.89 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.03 150.11 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.4 p -60.12 -20.54 58.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.68 -40.5 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -105.6 -16.09 14.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.8 tp -86.87 118.8 26.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -99.09 159.22 30.73 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -55.48 149.32 48.16 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.738 1.625 . . . . 0.0 111.148 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -129.26 -40.37 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.22 -43.41 88.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.55 -35.7 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.35 -17.92 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.58 -18.44 62.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -51.01 -39.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.97 -33.9 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -97.01 -21.25 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -77.18 -29.91 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.8 p -58.02 -25.23 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.2 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 97.2 mt-10 -80.08 59.98 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 175.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -53.92 -41.3 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -170.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -106.65 -0.92 23.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -172.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 31' ' ' GLU . 83.9 mt-30 -118.82 -10.83 9.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -173.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -76.04 140.46 41.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -55.93 130.09 72.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.236 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -54.09 -33.64 74.68 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.65 1.567 . . . . 0.0 111.199 -176.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.4 m -123.15 32.62 5.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.213 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.72 115.98 7.98 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -72.7 139.42 47.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.0 m -127.75 -15.92 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.251 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.427 ' HB ' ' HB1' ' A' ' 125' ' ' ALA . 86.4 mt -123.97 119.04 26.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.278 172.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.94 157.1 13.78 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.797 1.665 . . . . 0.0 111.225 -177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -74.06 133.99 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.215 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -108.18 162.56 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.214 172.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.8 p -118.7 170.79 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -50.26 -39.9 46.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.33 -27.14 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.219 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -82.95 -41.71 18.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 159' ' ' GLN . 94.8 mt -68.98 -33.15 73.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.91 98.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 mt -136.82 75.94 48.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -58.45 -35.27 98.88 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.625 1.55 . . . . 0.0 111.234 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -75.92 -9.51 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.4 mmm -99.87 2.6 43.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 26.6 t -113.06 107.61 54.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.248 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 56' ' ' SER . 60.1 Cg_endo -65.83 -26.83 51.98 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.65 1.567 . . . . 0.0 111.242 175.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 m -59.38 -42.02 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.9 mt -74.65 -47.75 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.6 -38.95 93.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -169.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 p -92.12 3.97 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -171.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -126.38 109.02 23.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.82 -23.0 31.89 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.801 1.667 . . . . 0.0 111.134 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.5 m -48.31 -36.29 13.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.193 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -99.48 15.54 26.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -114.23 132.87 55.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.245 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.8 139.9 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -112.11 113.74 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.286 174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.13 134.48 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.6 p -113.32 -36.91 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -169.93 149.61 3.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 96.3 m-85 -108.86 150.06 28.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 169.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -104.41 -59.09 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -169.97 178.84 3.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.95 112.14 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.206 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.77 144.17 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 55.9 34.95 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.176 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 63.7 24.35 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -125.16 140.37 52.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.5 t -95.66 130.81 43.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.241 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -114.64 117.01 29.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB3' ' CD1' ' A' ' 72' ' ' PHE . . . -144.78 179.55 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.212 -170.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.8 m -128.43 146.88 50.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 172.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.5 pt -131.27 169.67 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.511 ' HD2' ' O ' ' A' ' 88' ' ' SER . 61.7 ttp85 -139.97 164.86 28.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 173.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -119.09 -138.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.225 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -63.98 -26.95 68.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 49.9 p -137.03 -89.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 -173.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -81.5 162.05 23.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -162.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -101.13 163.5 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.8 tt -153.78 148.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.8 mt -83.2 146.31 28.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -130.07 136.62 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -121.31 124.55 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.225 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -93.88 124.37 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.207 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.6 p -66.7 160.01 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -174.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -56.16 -39.93 73.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.47 -44.61 93.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 96' ' ' SER . 49.0 t -55.11 -50.98 67.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.51 -50.38 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -56.32 -49.88 73.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.2 -47.09 78.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -52.69 -44.11 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.276 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.74 -24.95 66.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.79 -38.8 22.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.23 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 79.0 p -85.09 -24.41 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -174.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.465 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 54.8 m80 -109.96 -10.78 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.215 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 56.88 32.19 21.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 29.9 p -163.44 166.15 23.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.27 156.15 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.39 -25.57 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.4 p -83.31 -16.43 46.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.5 t -92.69 114.17 26.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -170.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 61.38 50.19 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.233 171.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 68.9 p -130.5 -9.81 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.9 m -57.69 -41.85 82.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.278 -171.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -106.81 24.71 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.6 m -115.26 165.01 13.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.22 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.9 tp -91.93 133.59 35.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 52.3 ttp -110.68 132.47 54.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.7 119.96 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 91.0 mt -103.14 142.96 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.252 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.11 156.76 26.2 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 46.4 t0 44.79 73.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 111.235 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.427 ' HB1' ' HB ' ' A' ' 42' ' ' ILE . . . -134.8 139.22 44.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -131.25 153.57 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.8 mt -88.57 135.32 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.12 139.44 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.247 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -82.22 121.54 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -169.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.1 139.88 40.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.2 p -83.97 162.96 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -174.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -51.89 -47.06 64.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.1 t -57.61 -48.76 78.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.87 -30.11 70.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.41 -37.13 77.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.6 mtp -69.85 -39.28 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.3 t -72.59 -51.32 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -98.98 -49.57 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -167.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -77.73 -16.73 58.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 65.41 33.16 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.223 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 141' ' ' ILE . 19.5 tt -159.25 125.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.0 t -64.55 145.97 55.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.8 mt -75.71 -6.14 49.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.234 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 95.0 p -66.68 -19.28 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 171.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.45 10.73 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 176.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.9 mm -119.86 -49.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 77.1 p -152.33 -169.87 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.0 p -91.35 -0.85 57.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -100.36 160.03 14.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -109.99 -2.06 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.9 mt -138.5 121.27 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.218 171.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.1 m -135.84 143.38 44.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 -171.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.06 121.39 5.34 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.759 1.639 . . . . 0.0 111.218 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.3 157.58 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 42.1 tp -89.43 111.52 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -91.58 109.98 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 94.0 t -104.24 131.13 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -169.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -99.94 -40.11 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 173.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . 0.471 ' HB3' HD11 ' A' ' 50' ' ' LEU . 13.1 mm100 -114.25 137.12 52.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -159.49 148.8 18.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.0 t -147.44 157.31 43.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.9 mm -125.91 130.14 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -131.04 139.85 50.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -94.68 15.62 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.23 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.43 -45.3 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -114.54 111.59 21.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.18 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -71.29 150.05 45.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -121.72 163.03 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -75.02 157.75 50.48 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 84.3 p -84.88 179.92 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.181 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 44.9 tp -52.39 122.01 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 62.4 m -131.64 158.87 39.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 34.2 p -87.78 63.58 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 -171.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 175' ' ' PRO . 71.6 m-85 -96.69 144.75 28.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.25 173.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 174' ' ' PHE . 75.5 Cg_exo -58.09 145.09 93.64 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.744 1.63 . . . . 0.0 111.188 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -81.93 146.86 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.15 -15.96 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -65.14 -22.1 66.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.16 -5.14 29.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -110.02 11.08 24.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.142 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--O 1.201 -1.479 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 177.512 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.792 0.33 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.7 p -120.34 24.77 10.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.273 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -56.91 142.52 41.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.6 p -79.48 -4.02 49.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.7 t -57.05 -41.03 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -102.5 -0.2 32.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.72 19.96 13.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 175.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -64.72 155.02 83.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 173.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.44 152.42 82.0 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.694 1.596 . . . . 0.0 111.23 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -142.4 -17.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.2 -39.83 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.92 -39.89 82.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.98 93.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.79 -43.54 97.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.27 -46.82 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.227 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -46.36 89.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.16 -39.22 89.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -105.0 31.97 4.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -76.06 -18.02 59.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.14 29.23 7.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -80.43 160.06 25.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -73.68 -179.91 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -50.51 94.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 57.46 38.36 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -77.72 120.81 82.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.232 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.58 158.04 47.98 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.666 1.577 . . . . 0.0 111.206 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -123.67 170.29 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 -175.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.9 -157.01 6.62 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -63.02 134.25 55.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -120.9 -13.2 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.26 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.6 mt -117.37 130.27 24.77 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 173.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -53.18 147.08 36.49 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.697 1.598 . . . . 0.0 111.197 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.0 t -65.36 130.51 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 -176.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' HB2' ' HA3' ' A' ' 123' ' ' GLY . 10.4 tp -73.32 136.73 44.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 175.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.4 p -93.97 170.71 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.33 -37.9 88.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.46 -38.07 88.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -65.02 -44.42 89.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.406 HD12 ' HB ' ' A' ' 161' ' ' THR . 41.6 tp -55.11 -49.87 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 176.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.94 -49.34 68.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.7 mt -136.9 79.46 38.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.24 -173.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.44 -28.91 31.94 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.663 1.575 . . . . 0.0 111.282 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -82.01 -3.6 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.267 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.4 mmm -110.5 16.88 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.222 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -133.4 124.51 18.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -53.07 -30.11 48.13 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.247 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.4 m -52.32 -33.99 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.221 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 59' ' ' ILE . 3.7 mp -95.24 -46.7 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.81 -36.2 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.214 -167.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.0 p -105.67 12.41 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -126.81 106.48 22.77 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.35 -28.16 61.56 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.763 1.642 . . . . 0.0 111.154 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.61 -15.23 60.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -176.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -99.99 17.46 20.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -127.44 108.43 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.198 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.34 147.97 49.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.55 118.38 33.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.19 126.18 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.7 p -96.13 -29.14 14.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 -174.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -170.33 140.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.172 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -95.74 145.39 25.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -102.67 -55.02 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -174.9 164.02 3.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.22 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.26 117.22 50.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.245 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.92 138.61 50.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.176 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 55.04 35.87 25.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.206 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 63.09 28.07 15.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -122.53 122.88 39.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.0 t -83.34 134.09 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -120.71 121.74 38.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.72 -174.71 4.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.258 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.1 t -128.31 141.0 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.5 pt -131.88 156.3 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.51 ' HB3' ' HG3' ' A' ' 90' ' ' GLN . 34.4 ptt180 -139.65 160.21 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -112.23 -140.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.2 m -101.19 16.58 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.1 t -138.67 -65.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -128.07 174.44 9.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -172.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.51 ' HG3' ' HB3' ' A' ' 85' ' ' ARG . 62.0 tt0 -130.3 139.51 50.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.224 -176.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.1 pt -134.05 174.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.174 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.8 mt -90.08 156.54 18.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.203 169.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.5 p -139.85 145.39 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -135.35 143.67 46.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.431 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 88.8 m-85 -115.94 132.63 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -174.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 60.2 p -71.05 164.89 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.237 -176.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.89 -40.07 87.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.233 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.28 -42.96 99.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.9 t -56.24 -53.99 50.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.04 -42.48 95.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.255 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -50.48 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.213 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -63.39 -45.71 89.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.189 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.38 -52.16 64.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.173 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.62 -40.03 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.263 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -57.3 -46.72 82.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 83.4 m -75.26 -47.66 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 -175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -92.99 -10.03 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 -169.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 52.98 43.55 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.5 p -157.1 169.82 23.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -86.73 167.51 14.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.8 tp -66.01 -19.94 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 57.9 p -97.62 -9.62 26.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.7 t -96.29 123.21 39.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.236 -173.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 59.92 37.76 21.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.7 p -123.1 -18.21 6.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.192 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -61.46 -41.09 96.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.6 p-10 -98.33 20.87 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.94 169.83 14.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.26 140.91 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 172.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 56.8 tpp -89.14 130.17 35.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.83 113.19 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.2 mt -101.75 134.1 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 45' ' ' LEU . . . -145.49 164.49 28.06 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.2 t0 49.69 62.46 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 111.097 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.92 145.09 45.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 -169.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.3 150.08 48.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 59.9 tp -104.29 120.61 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.1 m -132.69 -174.85 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -127.28 143.17 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.05 156.74 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -95.11 176.26 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -51.49 -52.37 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.216 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.6 p -66.71 -35.97 81.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -176.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -65.67 -34.24 77.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.3 -35.95 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.3 mtp -64.91 -32.0 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 41.6 t -77.55 -58.05 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -84.89 -53.4 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -171.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -81.71 -15.24 55.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 65.41 32.8 9.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.4 tt -156.24 129.04 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.1 p -69.79 159.63 33.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 82.5 mt -103.69 -38.0 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 70.4 p -65.51 -19.32 65.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -101.98 -8.23 21.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.3 mm -120.01 -59.69 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -175.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 148' ' ' SER . 89.9 p -84.45 -19.94 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 147' ' ' SER . 19.6 m 67.78 17.23 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -174.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -123.27 152.96 40.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -79.23 -44.43 21.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 42.4 mm -109.75 128.44 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.22 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 76.3 t -132.48 133.62 23.83 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -61.85 140.19 84.06 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.734 1.623 . . . . 0.0 111.203 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 78.7 t -133.29 131.45 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.202 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 53.5 tp -93.32 114.42 26.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -91.53 120.01 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.198 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 80.6 t -115.86 118.84 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 -168.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -94.92 -23.17 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -135.27 139.95 44.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.203 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.09 152.76 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.406 ' HB ' HD12 ' A' ' 50' ' ' LEU . 14.0 t -148.78 -178.16 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.262 172.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 6.3 tp -143.11 140.7 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -169.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -153.58 140.15 18.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.257 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -72.51 110.45 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.206 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 91.3 mt -130.16 -49.52 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -151.15 121.68 7.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.26 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 65.8 tt0 -57.65 133.14 55.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 99.5 t -102.53 130.14 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -77.95 176.45 53.91 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 85.0 p -79.61 179.61 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 111.199 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 50.7 tp -57.55 128.12 35.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 97.2 p -149.56 170.03 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.207 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 88.3 m -56.77 121.92 10.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.279 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -160.01 136.59 6.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -51.28 140.99 41.12 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.709 1.606 . . . . 0.0 111.205 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -112.56 166.14 11.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.187 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 88.0 t -80.01 -44.83 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 172.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -65.88 -19.92 66.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.76 -32.92 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -119.4 26.77 9.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 52.3 tp . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -176.437 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.9 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.2 m -63.72 -29.21 70.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 175.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -90.07 -0.95 57.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -176.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.8 p -57.16 -32.06 66.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -177.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.3 t -57.57 -39.07 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -106.27 17.02 24.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.2 tp -94.46 108.63 20.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -127.71 157.07 74.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -51.06 116.64 2.78 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.701 1.601 . . . . 0.0 111.207 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -133.75 -22.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.64 -38.24 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -55.08 -52.14 64.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 172.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.36 88.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 tp -53.25 -51.72 61.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.245 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.39 -50.27 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.244 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.75 -44.22 85.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -171.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.72 -16.82 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -174.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -121.49 38.2 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.2 p -73.39 -18.38 61.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.256 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -84.65 79.9 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 176.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -69.24 -16.73 63.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.185 -173.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -86.81 -13.4 45.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -110.0 -19.47 13.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -54.0 127.01 24.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -60.93 130.7 91.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.27 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.15 -38.98 72.0 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.675 1.583 . . . . 0.0 111.181 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.8 m -116.26 26.3 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -177.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.72 69.39 3.05 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -48.54 135.22 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.422 HG21 HG13 ' A' ' 42' ' ' ILE . 33.4 m -100.0 -19.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -174.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.422 HG13 HG21 ' A' ' 41' ' ' VAL . 89.5 mt -120.35 117.31 31.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 171.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -54.57 154.88 18.55 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.747 1.632 . . . . 0.0 111.224 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -72.39 161.63 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -121.86 153.55 38.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.1 p -89.72 169.08 11.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.95 -39.93 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -69.61 -39.1 77.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.05 -50.02 74.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.202 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.5 mt -71.71 -30.07 65.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.5 mt -137.42 77.0 41.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.235 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -58.21 -37.77 93.98 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.697 1.598 . . . . 0.0 111.213 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -77.32 -10.12 59.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -174.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.6 mmm -101.09 -0.02 37.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -118.0 109.41 41.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -54.78 -32.16 75.46 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.695 1.597 . . . . 0.0 111.198 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 m -52.48 -33.18 43.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.9 mt -97.34 -49.33 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.2 tp -54.46 -47.17 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.214 -169.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.2 p -100.11 10.09 41.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.22 -168.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -123.65 107.25 31.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.39 -30.07 61.55 Favored 'Trans proline' 0 C--N 1.327 -0.589 0 C-N-CA 121.699 1.6 . . . . 0.0 111.236 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 96.6 m -68.95 -18.43 64.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -170.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -99.89 9.95 42.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -170.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -160.23 165.12 32.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 172.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.73 177.87 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 -173.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -110.94 142.85 42.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.252 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.4 mt -92.29 134.7 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -105.09 -37.35 6.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 179.63 143.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.465 ' CD2' ' HB3' ' A' ' 82' ' ' ALA . 84.0 m-85 -97.54 136.78 37.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 167.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -100.46 -57.35 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -170.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -160.01 159.69 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -170.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.1 t -131.93 127.39 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 29.7 p -158.71 159.67 35.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 55.12 31.05 15.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 66.19 20.5 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -138.81 160.01 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.79 141.85 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -164.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -117.96 123.6 46.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.465 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . . . -147.12 -174.42 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 -175.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 t -131.88 143.9 50.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 174.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.1 pt -130.53 168.41 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.189 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -145.0 160.34 41.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.195 -175.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -130.78 -152.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 170.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.1 m -65.62 -25.63 67.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.246 -174.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.4 p -100.1 -110.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -102.47 -170.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -111.49 179.32 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -170.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 tt -160.08 146.74 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 173.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.21 144.32 53.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.248 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -135.0 137.12 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -118.34 119.84 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -93.69 117.0 29.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 80.8 p -65.23 163.86 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -173.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -55.36 -40.03 70.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.75 -45.76 93.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 96' ' ' SER . 49.5 t -56.79 -47.7 79.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 177.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.26 -49.64 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.248 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.6 m -57.29 -50.32 73.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.05 -48.52 75.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -53.91 -45.58 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.6 -39.97 76.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.11 -36.98 86.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 78.0 m -69.95 -50.04 45.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -100.75 -6.22 25.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -170.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 54.78 40.42 31.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.237 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.4 p -161.48 170.0 20.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.36 144.08 33.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.2 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.7 tt -67.03 -19.9 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.206 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.9 p -86.78 -12.32 48.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 t -92.03 123.14 35.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 54.99 42.2 31.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 172.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.568 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 0.6 OUTLIER -149.94 9.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -179.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.8 p -69.83 -14.97 63.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -140.01 40.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 74.4 m -126.67 176.31 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -171.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 65.6 mt -95.39 142.09 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.2 ttp -131.32 141.43 49.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.192 -171.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 43.8 mm -103.26 133.82 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 168.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 37.5 pt -128.59 148.81 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -157.0 164.28 32.7 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.8 t0 48.96 77.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.263 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.25 149.93 40.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -174.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -129.9 172.8 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.6 tp -109.03 132.46 54.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.65 162.3 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -119.51 131.0 55.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.27 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.2 m -122.97 159.51 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 63.5 p -78.64 164.78 24.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 -172.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -50.02 -45.18 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 169.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.9 m -55.62 -47.63 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.86 -39.53 87.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.9 92.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.208 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.4 ttp -73.95 -40.35 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.3 t -69.04 -44.53 72.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 -174.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.61 -54.3 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.228 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 36.0 m-85 -78.11 -18.83 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 13.8 mmmm 74.57 20.13 2.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.229 176.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 40.5 mm -127.72 109.81 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.7 p -70.08 155.12 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 176.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.2 mt -105.44 -32.24 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -177.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 95.1 p -65.84 -19.88 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 -174.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.16 -7.73 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -171.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.9 pt -120.78 -25.25 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -173.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 148' ' ' SER . 93.5 p -148.9 -19.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 -174.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 147' ' ' SER . 48.2 m 65.75 40.16 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.236 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -109.24 179.89 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.206 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -109.84 -31.67 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.7 pt -134.8 160.33 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.87 134.93 19.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.281 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.47 140.14 43.02 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.673 1.582 . . . . 0.0 111.214 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 86.7 t -138.97 133.77 41.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 52.6 tp -88.95 117.87 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -97.62 111.96 24.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 98.5 t -109.93 132.49 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -169.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -101.82 -32.93 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -117.19 131.61 56.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -154.92 150.96 27.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.9 t -157.13 162.91 39.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 176.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 95.8 mt -80.05 135.57 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -100.1 -53.61 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -166.11 168.69 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 42.8 pt -103.52 27.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -175.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -59.8 124.68 20.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.13 117.26 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -171.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 92.5 t -98.44 139.55 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.88 140.74 25.35 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 55.3 m -99.96 177.28 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.71 0.291 . . . . 0.0 111.253 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 56.5 tp -90.32 126.06 35.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -176.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 89.7 p -112.09 0.08 15.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.183 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 15.1 t -139.27 -157.79 0.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -64.61 142.89 98.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -52.29 131.94 42.04 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.645 1.563 . . . . 0.0 111.197 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . 0.438 ' HA ' ' HB3' ' A' ' 179' ' ' LYS . 22.0 m-30 -69.93 -19.94 63.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.272 -178.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.7 p -57.2 -20.14 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -110.36 -43.45 3.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.243 171.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 176' ' ' PHE . 62.8 tttp -60.39 -47.27 86.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.271 -171.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -115.99 36.88 3.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.199 -1.562 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 178.394 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -89.23 -3.88 58.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -63.51 142.03 58.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.5 p -89.3 2.97 53.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.226 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.4 t -51.68 -42.16 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.233 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -69.99 -24.61 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.7 tp -94.29 97.27 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -110.0 159.16 32.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 172.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.39 118.37 4.79 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.737 1.625 . . . . 0.0 111.122 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -134.03 -17.89 2.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.4 mt -68.72 -32.97 57.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -63.76 -42.94 97.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.236 172.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -29.91 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.192 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.459 HD23 HG22 ' A' ' 41' ' ' VAL . 97.0 mt -54.36 -43.5 71.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -95.12 -20.62 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.21 -175.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.9 -47.98 75.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.248 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.45 -19.83 55.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.237 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -117.75 40.44 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.191 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.6 p -82.56 -7.98 59.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -95.25 21.92 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -80.04 160.98 25.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -88.8 -164.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.222 176.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 35' ' ' TYR . 99.7 mm-40 -50.13 110.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 48.0 p90 29.94 52.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -174.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -90.33 123.0 66.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.36 159.36 46.92 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.758 1.639 . . . . 0.0 111.201 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 t -120.58 -160.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.82 -158.45 34.56 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 90.4 m-70 -74.99 140.05 43.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 111.175 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG22 HD23 ' A' ' 25' ' ' LEU . 29.1 m -123.71 -19.08 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.208 -175.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.9 mm -108.96 122.32 40.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 172.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -54.08 150.43 31.61 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.738 1.625 . . . . 0.0 111.228 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 t -76.63 136.78 39.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -106.92 145.74 31.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.5 p -91.43 175.39 6.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.48 -41.44 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -67.13 -40.9 86.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.211 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.95 -42.56 85.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.58 -37.08 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.78 63.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.287 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.0 mt -131.31 69.88 82.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.22 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.26 -24.95 26.8 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.649 1.566 . . . . 0.0 111.194 -177.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -80.07 -6.01 56.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.4 mmm -109.41 8.55 25.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -117.91 106.38 45.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -55.61 -32.35 82.91 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.72 1.613 . . . . 0.0 111.164 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.9 p -67.18 -15.26 63.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.6 mt -99.85 -43.43 11.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 170.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.2 mt -57.77 -38.1 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 -173.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.2 p -103.97 17.41 24.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -129.72 105.13 17.11 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.209 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -54.38 -29.88 60.58 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.729 1.619 . . . . 0.0 111.18 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.5 m -57.56 -30.06 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -171.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -88.09 -8.09 56.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.259 -172.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -94.83 132.42 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.92 140.41 25.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 168' ' ' VAL . 87.9 mttt -119.92 111.72 18.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 174.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.8 131.08 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.8 p -106.01 -30.63 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -174.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -170.05 140.68 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.282 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -94.69 147.11 23.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 168.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -117.7 -37.93 3.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.18 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -150.11 92.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.8 t -90.77 117.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 81.5 m -134.64 164.74 26.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 75.0 m-20 -59.95 103.52 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.308 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 77' ' ' ASP . 61.6 m-85 70.5 17.96 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.239 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 98.4 mttt -149.34 69.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.2 t -97.62 131.63 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.502 ' HB3' ' CD2' ' A' ' 139' ' ' PHE . 96.6 m-85 -118.16 124.02 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.35 -168.71 3.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -174.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 p -132.11 146.01 51.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 172.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.14 154.87 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.611 ' NH2' ' O ' ' A' ' 88' ' ' SER . 64.3 ttt-85 -128.48 147.33 50.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -106.29 -146.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 168.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -59.99 -41.97 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.611 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 42.5 t -120.35 -54.54 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -165.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -111.8 165.54 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -165.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.441 ' H ' ' HB3' ' A' ' 176' ' ' PHE . 20.2 tt0 -125.29 145.91 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 177.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 tt -140.23 141.07 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.53 146.26 45.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.61 143.18 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -118.9 132.68 56.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.186 173.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.69 123.12 44.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 99' ' ' CYS . 59.3 p -70.68 164.16 25.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -46.23 -38.08 8.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.259 169.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.69 -52.23 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 157' ' ' VAL . 57.4 m -51.58 -50.56 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.13 -44.66 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.0 p -61.15 -33.9 74.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -61.37 -46.5 89.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.236 174.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -65.1 -29.86 70.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.168 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.9 -40.79 38.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.04 -58.79 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 93.1 m -72.34 -49.4 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -173.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.499 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 92.4 m-70 -90.01 -14.6 33.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.238 -174.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 48.42 47.16 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 27.6 p -158.46 175.9 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.194 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -79.97 154.53 28.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.236 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.02 -19.96 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.8 p -90.78 -12.54 36.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 t -90.0 140.26 29.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 52.1 53.69 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.3 m -124.93 -45.28 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.271 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.1 m -57.83 -45.95 85.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.197 -173.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -101.26 26.65 6.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.5 m -131.23 165.07 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.275 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.42 ' HB3' ' HB ' ' A' ' 165' ' ' ILE . 50.4 tp -113.96 129.91 56.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.209 -177.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 56.2 ttp -92.87 138.58 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.1 mm -116.38 125.86 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 171.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.9 pt -113.09 154.46 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 -171.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.84 155.37 26.17 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 48.5 t0 54.55 71.81 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.28 138.74 53.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 10.1 t0 -110.44 134.74 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.6 tp -89.0 127.41 35.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.36 177.68 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -130.0 139.98 50.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 174.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 24.2 m -125.22 154.68 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.215 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.6 p -92.6 168.8 10.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -49.98 -46.37 52.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.4 t -59.31 -50.05 75.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -59.99 -40.37 88.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.46 98.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.255 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.3 mtm -69.34 -30.05 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.7 p -85.7 -26.39 25.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 68.2 m170 -105.69 -63.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 81' ' ' TYR . 73.2 m-85 -79.91 -19.98 46.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.233 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 70.3 mmtt 70.03 35.21 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 141' ' ' ILE . 17.6 tt -149.7 124.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 178.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.2 t -65.08 142.52 58.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.56 -20.96 42.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 96.1 p -68.29 -13.78 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -95.08 -11.93 27.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.227 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.9 pt -131.45 6.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.9 t -159.57 152.7 22.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 94.7 p -81.5 -13.07 58.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -111.25 166.63 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.275 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -97.67 9.38 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -176.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -135.88 146.22 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 173.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.34 155.82 67.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.75 147.65 45.18 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.734 1.623 . . . . 0.0 111.177 173.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 87.0 t -138.24 137.31 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 37.3 tp -97.74 116.24 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -96.23 100.12 11.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.219 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.463 ' O ' ' SG ' ' A' ' 99' ' ' CYS . 75.7 t -94.1 126.28 46.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -170.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -85.12 -48.68 8.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -114.22 134.98 54.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.53 130.99 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.5 p -130.98 158.96 38.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 171.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 90.3 mt -129.85 127.91 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -131.5 154.12 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.223 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -73.8 72.48 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 92.6 mt -104.5 -42.06 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -158.13 125.6 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -64.76 156.2 31.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 68' ' ' LYS . 84.8 t -78.64 135.08 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -87.83 -170.25 46.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 86.9 p -73.3 161.62 30.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.818 0.342 . . . . 0.0 111.149 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 66.9 tp -110.11 121.41 45.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.181 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 30.1 t -62.24 150.19 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 69.2 p -91.09 -12.07 36.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -76.67 156.26 82.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.231 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.75 152.48 28.04 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.743 1.629 . . . . 0.0 111.173 176.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . 0.441 ' HB3' ' H ' ' A' ' 90' ' ' GLN . 79.6 m-85 -114.45 -146.1 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.249 -177.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.4 -20.14 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 -176.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -57.58 -25.6 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -73.08 -6.33 44.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -96.57 4.65 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.201 -1.493 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 177.479 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.798 0.333 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -76.7 -15.94 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -74.47 -20.91 59.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.4 p -88.7 -4.86 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.3 t -67.88 -40.73 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.446 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 25.5 p90 -95.71 1.09 53.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 -178.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -95.55 9.29 40.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 173.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -70.42 156.1 92.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.242 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.36 142.45 54.72 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.709 1.606 . . . . 0.0 111.165 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -142.39 -22.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.192 -173.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.71 -50.05 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -55.75 -54.57 42.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.48 96.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.6 tp -61.89 -40.97 97.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 -175.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.21 -53.04 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -62.85 -40.46 97.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -173.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.05 -29.05 69.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -110.58 11.83 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 -175.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -166.94 96.32 0.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.278 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -89.96 -173.63 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -56.05 121.35 9.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 58.85 35.27 24.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -123.1 109.7 14.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.194 175.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -63.51 135.3 56.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 61.1 t-80 -62.89 129.42 93.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -177.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 36' ' ' HIS . 72.1 Cg_exo -54.54 160.01 7.71 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.667 1.578 . . . . 0.0 111.204 178.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.9 p -83.63 -4.17 58.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.237 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.12 162.74 53.85 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -77.01 160.98 28.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 111.207 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG21 HG13 ' A' ' 42' ' ' ILE . 27.1 m -115.06 -21.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.26 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.409 HG13 HG21 ' A' ' 41' ' ' VAL . 97.3 mt -120.3 120.97 29.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 173.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -55.02 154.82 20.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.704 1.603 . . . . 0.0 111.213 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -74.88 142.27 44.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -175.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.5 mt -108.37 146.85 32.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.4 p -101.34 176.11 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.208 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.59 -41.79 66.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.6 -38.07 88.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -68.11 -40.13 82.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.5 mt -76.25 -35.5 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.12 -40.29 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.282 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 mt -127.78 71.16 77.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.195 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.64 -26.21 33.56 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.752 1.634 . . . . 0.0 111.15 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -78.15 -7.1 56.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.2 mmm -109.94 16.5 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 174.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.2 t -125.53 97.98 35.58 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -55.55 -31.95 80.82 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.693 1.595 . . . . 0.0 111.212 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.6 p -64.13 -20.31 65.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -93.2 -49.45 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 172.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.44 -30.06 70.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -167.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.7 p -95.04 3.54 54.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 -174.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -125.99 106.61 25.4 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HG3' ' HA ' ' A' ' 17' ' ' PHE . 77.2 Cg_exo -55.55 -27.13 58.22 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.674 1.582 . . . . 0.0 111.198 177.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.0 m -64.95 -16.61 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 -175.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -95.69 21.16 8.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -136.85 146.45 45.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -160.2 160.79 33.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -121.24 134.77 55.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.2 tp -68.46 145.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -115.12 -38.8 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -172.22 143.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.87 142.85 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 168.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -114.63 -56.64 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.222 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.453 ' OD1' ' SG ' ' A' ' 76' ' ' CYS . 59.5 t-20 -129.06 98.81 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.8 t -103.77 112.66 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.453 ' SG ' ' OD1' ' A' ' 74' ' ' ASN . 85.1 m -130.07 175.94 8.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 178.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.447 ' HA ' ' NH1' ' A' ' 110' ' ' ARG . 88.5 m-20 -59.91 102.48 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -178.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.441 ' HB3' ' HA ' ' A' ' 97' ' ' GLN . 78.1 m-85 66.48 20.34 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -141.27 89.71 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.26 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 81.4 t -110.38 125.4 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.228 -175.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -115.48 118.59 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.235 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.07 -172.27 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -171.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -134.02 140.87 46.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -128.43 172.41 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -149.24 165.91 30.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -106.49 -149.97 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 161.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -74.75 -3.41 31.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -172.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.5 p -142.72 -65.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.198 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -93.17 159.64 15.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 -166.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -131.5 139.5 49.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -147.8 147.44 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.191 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.37 151.42 46.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.9 p -141.16 137.73 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -116.85 136.98 52.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.211 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.401 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 81.2 m-85 -108.35 113.71 26.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.275 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.0 p -71.33 170.64 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -173.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 65.7 tt0 -56.21 -43.8 78.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.95 -40.03 94.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.4 ' SG ' ' HD2' ' A' ' 95' ' ' PHE . 36.4 t -57.28 -52.62 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.57 -42.86 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.8 m -57.91 -52.95 63.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.276 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.81 -44.24 90.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.88 -43.03 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.91 -40.01 75.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.212 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.27 -35.06 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.6 m -79.44 -50.96 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -109.71 3.54 21.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.23 -168.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 56.23 37.27 28.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.1 161.33 31.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.447 ' NH1' ' HA ' ' A' ' 77' ' ' ASP . 82.7 mtt180 -80.12 161.15 25.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.1 mm -47.9 -43.89 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 95.1 m -68.36 -32.37 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.3 t -79.58 128.96 34.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -170.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 60.13 45.74 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 171.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.522 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 52.5 p -133.53 -2.04 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 175.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 98.2 m -53.12 -47.75 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -174.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -116.62 29.89 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.522 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 83.3 m -117.58 138.12 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 46.5 tp -71.86 128.24 35.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 175.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 98.0 mmm -95.49 145.26 25.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.234 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 71.3 mt -108.79 136.02 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 170.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.8 mt -114.8 132.44 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -136.4 153.5 21.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.6 t0 44.12 72.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 111.176 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 156' ' ' ASN . . . -132.23 144.07 50.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.227 -174.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -132.44 131.72 42.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.9 mt -80.92 125.73 30.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 174.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.0 159.93 42.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.297 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -90.67 129.88 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.2 m -124.98 160.12 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 171.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.1 p -86.3 166.13 15.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -171.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -50.08 -45.51 52.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 168.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 71.6 m -55.74 -46.24 77.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.63 -39.14 88.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.74 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.0 tpp -80.03 -47.92 14.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.3 p -73.61 -25.83 60.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 -169.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -110.28 -44.76 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.172 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -107.47 2.61 24.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 52.13 40.24 28.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.4 tt -142.97 130.23 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 70.6 m -65.35 137.75 57.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 54.2 tp -109.09 -48.33 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.4 p -70.68 -10.01 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.238 -175.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -103.96 2.39 32.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 49.1 pt -128.11 -19.98 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.6 p -121.11 179.94 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 91.3 p -100.83 3.11 41.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -120.07 168.0 11.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -107.66 -0.52 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.2 pt -128.88 147.83 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.9 p -143.81 136.6 13.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -174.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.96 139.97 64.12 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.751 1.634 . . . . 0.0 111.185 174.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.36 140.04 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.206 177.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 33.8 tp -91.52 110.11 21.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 -171.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 125' ' ' ALA . 54.4 t-20 -90.45 116.81 28.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.33 137.4 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 -169.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -109.96 -26.66 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -125.54 142.67 51.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.62 151.11 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.1 t -160.16 -179.61 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.205 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 98.4 mt -108.07 143.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.21 -176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -132.45 110.06 10.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -80.1 105.79 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.7 tp -162.11 -30.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -150.42 118.02 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.16 150.15 47.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.232 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 87.0 t -72.77 124.81 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -88.63 163.36 32.31 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.2 p -69.99 156.9 38.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.754 0.312 . . . . 0.0 111.23 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.9 tp -78.39 132.9 37.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.21 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 10.2 t -131.91 -165.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 44.7 p -81.28 74.24 8.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -108.28 155.04 40.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 174.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.5 120.31 7.15 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.701 1.601 . . . . 0.0 111.196 174.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -110.14 174.94 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 -174.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.81 -43.98 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.214 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -72.42 -21.52 61.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -72.78 -33.3 66.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -100.06 25.49 7.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 -178.125 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.828 0.346 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -77.3 -14.88 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.285 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.74 -25.03 61.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -81.32 -6.55 59.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.39 -39.98 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.42 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 30.3 p90 -102.22 5.07 39.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -100.39 28.55 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -94.88 155.17 39.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.234 174.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.15 143.41 71.3 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.72 1.613 . . . . 0.0 111.247 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -144.7 -23.89 0.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -172.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.46 -50.58 79.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.98 -49.96 75.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.211 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.95 94.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.32 -41.09 98.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.6 -54.94 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 176.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.11 -43.59 74.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.53 -30.74 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.255 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -112.49 12.49 20.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 -173.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.5 t -159.12 99.45 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -89.95 -179.34 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.97 120.8 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 57.27 35.41 26.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -120.33 116.16 24.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -65.02 136.69 57.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -63.39 131.63 94.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.188 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -54.05 161.64 4.81 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 121.722 1.615 . . . . 0.0 111.203 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.8 p -82.23 -3.44 55.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.43 173.9 52.71 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -89.22 160.93 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 111.22 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.6 m -114.59 -20.22 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.0 mt -119.9 120.0 30.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 171.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -55.01 153.87 24.15 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.727 1.618 . . . . 0.0 111.195 -175.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 t -72.17 140.5 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.3 mt -109.87 145.23 37.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.253 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.3 p -100.11 176.24 5.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.51 -42.19 70.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.45 -39.62 92.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -65.52 -43.71 89.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.19 -31.84 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.07 -45.63 66.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.8 mt -129.42 72.97 81.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.56 -25.78 29.16 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.692 1.595 . . . . 0.0 111.206 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -78.94 -9.92 59.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 97.5 mmm -104.93 4.1 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 t -119.08 106.86 42.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -54.95 -31.68 75.03 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.635 1.557 . . . . 0.0 111.141 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.7 p -64.24 -18.68 64.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -175.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.2 mt -104.1 -50.05 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.68 -38.65 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -168.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.3 p -101.61 14.58 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -173.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -127.72 104.16 21.39 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HG3' ' HA ' ' A' ' 17' ' ' PHE . 68.1 Cg_exo -56.61 -26.58 65.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.746 1.631 . . . . 0.0 111.179 178.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.9 m -64.89 -16.2 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.158 -173.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.07 9.79 42.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -125.71 149.57 48.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.6 160.02 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -119.27 144.57 46.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 176.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.53 139.49 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.3 p -108.14 -38.51 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -176.84 141.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -92.99 143.1 26.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 168.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.71 -54.37 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -138.76 73.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.281 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 80' ' ' VAL . 92.4 t -79.04 114.61 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 176.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.1 m -130.0 174.24 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -50.88 99.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 61.96 23.42 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.183 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -140.03 89.94 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.414 HG13 HG23 ' A' ' 75' ' ' VAL . 86.2 t -104.25 129.43 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -174.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.45 119.24 27.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.194 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.69 -173.61 4.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -172.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -128.79 143.13 50.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.71 175.09 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -154.06 167.2 30.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -109.84 -144.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 166.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.0 m -85.7 9.5 16.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.1 p -150.62 -66.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -97.56 155.64 16.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -165.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -123.96 138.75 54.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.9 tt -148.3 149.75 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.28 150.23 46.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.39 139.44 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.241 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -128.28 151.83 48.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -121.58 127.78 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.261 -173.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 91.2 p -70.21 167.53 17.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -174.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.4 -41.51 89.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.12 -39.95 93.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 96' ' ' SER . 46.2 t -56.72 -52.67 64.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.97 -44.93 99.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.1 m -55.4 -52.41 63.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -65.0 -44.26 89.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.179 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -55.02 -47.31 74.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.01 -42.98 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.92 -37.1 85.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.3 m -71.05 -52.31 20.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -99.85 -7.88 24.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.296 -169.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 53.73 42.49 31.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 23.2 p -155.13 172.54 17.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.11 164.01 23.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.6 tp -64.76 -19.9 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.5 p -96.15 -9.32 30.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.0 t -90.1 121.79 32.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -172.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 60.92 36.26 18.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.3 p -126.61 -21.42 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 92.7 m -58.03 -43.66 86.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -116.51 25.11 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.227 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.14 141.65 51.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.29 133.49 47.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.195 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 95.1 mmm -104.01 148.32 26.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -174.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 78.8 mt -109.82 136.63 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.203 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.6 mt -119.4 137.03 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.97 158.18 27.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.6 t0 44.61 70.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 0.0 111.232 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.24 146.43 48.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.223 -174.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -140.02 150.76 44.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.8 mt -91.28 132.77 35.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.1 m -135.21 149.24 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 174.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -92.6 131.13 37.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.74 160.93 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.9 p -88.75 166.77 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.194 -174.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -48.74 -46.79 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 169.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.5 m -54.53 -49.61 69.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.55 -38.89 92.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.83 -25.62 66.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.212 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.3 mtp -90.05 -30.04 17.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 85.2 p -85.94 -21.29 27.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -116.87 -42.54 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -108.63 -2.94 18.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -174.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 55.13 40.13 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 171.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.0 tt -149.11 120.08 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.7 t -70.47 144.98 51.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 88.5 mt -92.64 -34.09 14.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.212 -174.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.4 p -71.74 -10.08 59.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.289 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -105.67 1.71 27.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.7 pt -130.16 -15.17 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.254 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.2 p -141.97 -179.94 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.6 p -94.61 -0.13 54.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.168 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -122.69 162.72 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -108.62 17.04 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 85.6 mt -135.02 130.23 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 176.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.76 137.06 29.46 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.196 -171.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.06 140.1 40.75 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.723 1.615 . . . . 0.0 111.236 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 90.2 t -134.22 136.63 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.42 113.07 22.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.179 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -94.0 122.76 36.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.6 t -114.7 131.3 67.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -170.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.16 -36.04 9.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -117.2 136.32 53.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.57 151.27 25.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.259 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.9 t -160.04 165.14 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 84.1 mt -92.97 138.28 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -140.0 89.2 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.206 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -65.72 106.5 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.197 -178.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 10.2 tp -152.32 -28.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -136.45 109.33 7.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 176.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.41 131.44 50.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.54 120.76 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -91.24 172.44 36.43 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.4 p -71.24 161.29 31.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 111.185 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 30.8 tp -69.99 117.75 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 73.5 m -100.09 173.91 6.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 40.2 p -80.14 69.87 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -174.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -109.78 156.73 39.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.02 136.58 48.93 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.685 1.59 . . . . 0.0 111.153 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -116.2 170.6 8.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.245 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 74.1 t -69.39 -49.19 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -69.19 -21.56 63.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -75.75 -35.26 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -99.76 29.2 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.227 174.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.739 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.339 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.2 p -89.13 -11.27 44.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -56.16 -42.63 77.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.5 p -90.73 -3.21 57.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.277 -173.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.43 -54.1 11.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.197 -176.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -73.17 -9.44 58.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.16 5.12 35.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -79.46 153.9 76.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.17 152.79 56.63 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.652 1.568 . . . . 0.0 111.283 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -143.89 -23.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.23 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.429 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 86.0 mt -67.55 -39.54 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.261 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -45.05 -62.97 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.205 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.57 95.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.227 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HB3' ' HA ' ' A' ' 22' ' ' ILE . 21.2 tp -48.61 -49.98 34.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -85.26 -50.8 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.173 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.69 -39.94 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.193 -171.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -89.69 -9.26 50.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.23 -172.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -136.82 28.71 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -174.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.7 p -77.0 -21.76 54.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.25 73.64 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.439 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 76.5 m80 -67.97 -8.04 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -58.38 -36.66 73.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -116.57 -30.29 5.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.439 ' HB3' ' HA ' ' A' ' 32' ' ' HIS . 77.0 t80 -66.65 139.9 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 178.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -53.4 129.94 52.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -53.21 -33.37 64.47 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.683 1.589 . . . . 0.0 111.205 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -125.56 32.99 5.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -48.56 118.88 5.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -64.15 139.01 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 111.227 -178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -120.0 -61.56 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 91.2 mt -99.3 119.85 59.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -170.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -54.34 154.96 17.4 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.731 1.62 . . . . 0.0 111.23 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 m -69.04 143.83 54.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.246 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.56 149.96 33.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -88.05 171.16 10.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.8 -40.03 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.24 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.34 -40.04 77.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.22 -48.94 79.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.258 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.7 -30.15 66.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.42 71.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.8 mt -136.23 75.46 52.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.214 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -57.26 -37.02 99.01 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.676 1.584 . . . . 0.0 111.221 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -77.4 -6.29 52.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 -174.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.1 mmm -105.22 4.92 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.4 t -114.8 109.23 47.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.211 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -55.3 -33.27 84.42 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.691 1.594 . . . . 0.0 111.215 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.9 p -67.17 -16.99 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -99.57 -39.77 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.218 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.94 -37.91 74.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.2 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.3 p -98.44 10.04 41.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 -173.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.449 ' HB2' ' HD2' ' A' ' 65' ' ' HIS . 66.3 m-20 -130.67 116.82 17.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.163 -177.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.13 -18.67 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.656 1.571 . . . . 0.0 111.234 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.2 p -65.96 -18.93 65.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -174.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.449 ' HD2' ' HB2' ' A' ' 62' ' ' ASN . 93.1 m-70 -89.16 -3.94 58.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -176.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -109.89 131.98 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.58 141.54 37.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -106.01 106.22 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.5 mt -73.7 121.65 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.9 p -98.98 -29.47 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -179.19 141.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -104.26 159.83 15.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.167 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.66 -58.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -170.01 179.93 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -174.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.2 m -125.44 157.62 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 44.6 t -164.27 132.73 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 55.87 39.98 30.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 66.65 18.98 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.277 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -113.9 167.09 10.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.88 140.14 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.224 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -119.75 124.4 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.93 -177.63 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 -172.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.5 m -126.53 139.58 53.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 174.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.5 pt -128.0 168.35 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -149.28 171.02 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -141.95 -151.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 172.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -62.37 -29.21 70.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.3 p -98.22 -114.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -101.18 -175.79 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.252 -173.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -100.07 169.62 9.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -174.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -160.0 139.91 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.63 145.05 52.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 173.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -136.49 147.61 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.64 129.79 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.503 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 88.7 m-85 -105.23 134.27 48.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.209 -175.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.9 p -70.08 167.7 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -171.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -57.78 -40.08 78.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.195 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.41 -48.3 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 175.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 46.7 t -57.4 -53.15 61.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.68 -46.5 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -61.42 -52.09 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.214 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.95 -44.34 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -52.86 -52.42 57.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.263 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.91 -35.41 79.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.205 -171.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.12 -37.0 85.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.9 p -95.81 -24.48 16.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.9 m-70 -107.46 -12.75 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 50.13 45.92 25.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 31.2 p -160.77 171.3 19.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.79 141.44 40.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 17.4 tt -67.16 -20.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.6 p -82.18 -19.96 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.9 p -90.17 159.86 16.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 55.17 41.5 31.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 -177.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 41.7 p -111.53 -9.78 14.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.5 m -77.05 -59.44 2.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.4 p-10 -100.16 20.04 15.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.239 -173.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 64.9 m -129.94 164.93 23.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 68.2 mt -110.04 154.34 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.441 ' SD ' ' HB2' ' A' ' 160' ' ' ALA . 47.5 tpp -102.71 130.31 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.8 mm -103.41 110.44 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.249 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 89.9 mt -101.61 140.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.181 -169.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.05 161.13 27.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 175.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.0 t70 43.53 77.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.166 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.61 153.28 43.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -132.93 170.27 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.258 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.8 tp -102.43 132.29 48.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 34.5 m -132.34 174.23 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.185 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -113.15 142.89 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.207 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 78.1 t -132.58 137.56 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.186 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.1 p -92.82 170.5 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -50.5 -59.76 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 173.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.7 p -59.94 -35.44 74.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -174.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 21.1 tpp85 -70.53 -39.17 74.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.29 -25.53 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.247 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 97.8 mtp -73.39 -36.46 66.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 173.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.2 p -83.96 -25.73 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.276 -176.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -107.07 -64.16 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -79.16 -9.49 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 65.66 30.65 10.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.4 tt -149.62 123.9 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 -178.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.5 t -66.83 141.2 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.247 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.4 mt -82.08 -25.11 34.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 86.9 p -67.52 -17.01 64.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -84.68 -18.04 36.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.0 pt -136.32 19.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.8 t -163.3 153.9 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.225 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.4 p -85.62 -5.34 59.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.402 ' NZ ' ' OXT' ' A' ' 181' ' ' LEU . 61.0 mttp -120.39 170.03 9.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 178.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.89 24.81 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.216 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.4 pt -129.44 157.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.6 p -158.06 132.56 5.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 174.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.67 141.16 30.49 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.66 1.573 . . . . 0.0 111.231 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 72.6 t -136.6 140.01 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.283 -173.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 54.6 tp -88.98 117.9 28.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -97.87 112.81 24.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 84.3 t -108.05 132.45 55.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.216 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -96.38 -31.11 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.97 140.29 38.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.441 ' HB2' ' SD ' ' A' ' 120' ' ' MET . . . -170.9 148.12 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.9 p -135.58 153.34 51.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.216 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 95.7 mt -108.25 137.63 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -174.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -137.13 144.08 42.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 175.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -73.34 74.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 91.6 mt -94.6 -45.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.209 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -161.01 151.1 17.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 61.9 tt0 -79.89 143.53 34.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 -178.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 56.4 t -113.49 144.34 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -74.99 -177.96 40.66 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 89.0 p -80.86 170.05 16.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.761 0.315 . . . . 0.0 111.234 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 59.7 tp -80.87 127.83 32.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 92.0 p -70.34 159.81 33.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 97.9 m -64.16 -36.93 85.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -122.86 94.85 47.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.204 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.72 151.92 30.12 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -91.5 5.39 49.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 -177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.52 -19.73 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.215 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -94.62 5.26 52.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -175.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -83.19 -15.82 49.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.248 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -103.27 8.24 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.402 ' OXT' ' NZ ' ' A' ' 149' ' ' LYS . 83.7 mt . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.9 p -88.24 -15.81 34.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -66.71 142.09 57.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.0 p -97.7 10.43 40.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.279 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.5 m -64.79 -20.33 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -172.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -64.68 -24.24 67.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.189 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt -102.98 107.21 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -109.18 159.11 32.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 174.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.92 130.06 35.95 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.693 1.596 . . . . 0.0 111.178 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 70.2 p-90 -140.61 -21.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.4 mt -64.71 -53.43 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -174.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.19 -40.18 73.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.2 77.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.8 mt -72.55 -29.03 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.87 -49.88 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -60.37 -37.12 79.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.11 -27.96 64.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -111.99 19.18 18.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -69.11 -19.48 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.25 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -101.36 20.08 16.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -89.98 162.24 15.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -57.64 145.09 35.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' TYR . 99.4 mm-40 -65.66 147.66 53.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 35' ' ' TYR . 50.1 p90 32.94 50.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -137.03 129.72 17.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.248 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.75 140.97 77.3 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.639 1.559 . . . . 0.0 111.233 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.2 t -112.4 -164.16 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.249 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.92 -172.9 47.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -73.21 143.67 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.9 -13.84 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.9 mt -125.38 127.39 24.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -53.62 154.21 16.58 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.762 1.641 . . . . 0.0 111.246 -175.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.4 m -79.05 147.05 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.56 162.72 15.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.233 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.7 p -118.4 171.93 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.217 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.89 -40.01 55.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.74 -31.65 72.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -77.04 -34.65 57.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -79.59 -26.98 41.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.242 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.53 -41.69 60.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 175.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 mt -128.59 68.68 78.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.09 -26.03 31.11 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.682 1.588 . . . . 0.0 111.265 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -79.14 -3.6 46.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.8 mtp -118.5 18.81 13.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 174.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 t -121.86 100.08 43.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -54.99 -32.18 77.7 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.736 1.624 . . . . 0.0 111.179 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.3 m -53.56 -33.57 55.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.6 mt -89.07 -49.09 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 175.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.26 -37.37 86.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -166.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.6 p -97.37 7.42 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.207 -171.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -125.79 106.56 26.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -54.46 -28.57 54.99 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.749 1.633 . . . . 0.0 111.218 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.8 m -64.14 -18.88 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -94.27 2.53 55.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.18 142.64 45.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.22 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.62 163.13 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.235 172.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HD2' ' HB ' ' A' ' 168' ' ' VAL . 44.6 mtmt -128.87 139.97 51.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 172.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.9 mt -84.14 135.71 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.233 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.5 p -105.13 -30.4 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -176.97 145.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -102.72 157.45 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 172.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -125.74 -36.84 2.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -174.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -147.1 89.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -94.02 115.86 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 84.9 m -135.06 163.63 29.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.272 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.424 ' OD1' ' NH2' ' A' ' 110' ' ' ARG . 78.4 m-20 -60.01 108.88 0.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.429 ' HB3' ' HG3' ' A' ' 97' ' ' GLN . 66.8 m-85 66.22 29.05 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 88.7 tttt -164.72 75.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -178.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.5 t -110.61 135.06 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 -172.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.473 ' HB3' ' CD2' ' A' ' 139' ' ' PHE . 97.8 m-85 -120.58 125.84 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 178.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.39 -173.08 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.9 p -127.3 138.23 53.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.218 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.7 pt -128.24 159.97 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -139.81 159.71 41.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.259 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -110.3 -141.64 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.224 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 m -95.13 15.42 19.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t -142.27 -64.89 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -126.22 -178.14 4.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.198 -167.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -127.84 143.55 51.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 tt -137.98 142.88 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.235 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.12 149.66 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 175.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.1 p -135.06 140.09 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -175.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -116.0 133.65 55.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 172.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.85 111.18 23.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.3 p -71.23 168.74 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.271 -174.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' HG3' ' HB3' ' A' ' 78' ' ' TYR . 63.6 tt0 -57.66 -40.32 79.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 173.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.51 -46.92 87.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.04 -56.45 20.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.4 -43.01 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.8 t -61.87 -53.42 56.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.09 -47.17 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.264 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -55.01 -46.47 75.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -69.97 -36.01 74.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 -173.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.44 -38.47 91.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.2 p -90.38 -29.99 17.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -173.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -112.24 -4.94 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.186 -173.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 54.02 42.45 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.2 p -164.6 174.53 10.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.424 ' NH2' ' OD1' ' A' ' 77' ' ' ASP . 93.8 mtt-85 -78.3 155.7 30.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -175.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.3 tp -58.45 -23.24 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 59.5 p -90.53 -17.21 27.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.7 m -60.04 110.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.266 -172.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 60.92 31.96 19.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.494 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 67.4 p -119.19 -23.6 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 172.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.2 m -57.76 -35.16 70.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.223 -177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -116.51 20.2 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 75.4 m -130.54 -170.86 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.212 -176.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.8 tp -92.86 129.49 38.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.5 ptm -110.24 154.96 22.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.417 ' HB ' HG23 ' A' ' 161' ' ' THR . 44.0 mm -111.42 142.72 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 176.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 82.9 mt -120.56 132.84 69.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.28 158.05 27.59 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.3 t0 52.05 54.85 10.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -124.27 145.6 49.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -169.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -127.84 165.86 19.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 21.3 tp -107.48 133.99 51.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.9 m -137.78 144.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -98.58 132.67 43.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.199 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.2 m -123.79 158.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.5 p -96.91 173.2 7.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -53.13 -46.62 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 173.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -58.27 -47.74 82.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.217 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.43 -37.53 87.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.08 74.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.265 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.2 mtm -77.25 -29.95 54.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.214 175.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.4 m -79.78 -32.94 40.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.191 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -107.63 -61.63 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.473 ' CD2' ' HB3' ' A' ' 81' ' ' TYR . 70.1 m-85 -77.34 -16.53 58.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 66.43 33.55 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 141' ' ' ILE . 6.3 tp -148.84 121.16 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.9 t -62.75 138.46 58.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.09 -24.1 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 89.2 p -61.9 -19.85 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -97.11 -12.45 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.5 pt -137.27 19.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -175.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.9 t -170.78 156.49 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.174 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.6 p -90.31 -5.33 56.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 174.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -122.37 153.84 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -90.03 -7.58 53.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 90.3 mt -125.42 121.36 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 174.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.92 147.7 66.47 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 -172.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.88 145.01 49.55 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.723 1.615 . . . . 0.0 111.194 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.39 136.81 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 53.1 tp -95.84 118.17 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -99.37 122.0 41.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.3 t -111.46 141.47 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 -170.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -121.67 -23.37 5.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -125.66 139.79 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 172.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.74 151.14 16.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.417 HG23 ' HB ' ' A' ' 121' ' ' ILE . 14.5 t -145.31 -172.71 3.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 169.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 14.1 tt -120.94 130.64 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -165.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.428 ' HD1' ' HA ' ' A' ' 163' ' ' PHE . 1.3 m-30 -122.21 141.83 51.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 170.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.8 p-10 -99.08 20.35 13.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 173.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.89 -50.33 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.259 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -128.42 102.74 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -173.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -74.69 159.9 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.413 ' HB ' ' HD2' ' A' ' 68' ' ' LYS . 10.8 p -138.16 144.96 29.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.219 -175.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -86.35 -155.44 26.55 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 83.9 p -86.64 -178.88 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.16 -174.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 42.4 tp -64.16 138.14 58.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.246 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 87.1 p -67.78 162.86 22.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.243 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 97.8 m -66.66 -47.09 73.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.92 149.85 43.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -59.24 156.45 35.05 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.694 1.596 . . . . 0.0 111.23 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -91.43 -105.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.43 -26.49 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -70.28 -30.04 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.06 -32.85 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.211 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -126.43 30.92 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.3 tp . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 -175.037 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.844 0.354 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.6 p -89.14 -4.84 58.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.05 140.07 58.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.8 m -63.68 162.81 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 173.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.39 -31.69 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 -173.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -85.62 -0.33 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -172.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.0 mt -92.36 67.93 4.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.259 177.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -91.91 159.27 38.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.91 142.22 74.52 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.702 1.601 . . . . 0.0 111.221 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -149.79 -28.73 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 -172.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG22 HG22 ' A' ' 177' ' ' VAL . 97.3 mt -64.79 -49.32 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -171.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -58.0 -52.44 65.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.1 95.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD11 ' HB ' ' A' ' 41' ' ' VAL . 30.2 tp -56.8 -49.95 73.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.66 -46.73 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -58.02 -40.36 80.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.94 -15.03 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.162 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -120.49 30.86 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.235 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.1 p -65.24 -23.76 67.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -79.85 72.3 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -69.96 -18.92 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -67.2 -28.65 68.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 175.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.27 -30.29 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -53.19 122.12 8.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -57.54 127.88 78.5 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.216 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -54.08 -37.65 86.91 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.705 1.603 . . . . 0.0 111.216 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.6 m -110.2 21.57 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -176.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.54 -179.12 49.36 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -133.14 159.01 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.195 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.44 ' HB ' HD11 ' A' ' 25' ' ' LEU . 35.7 m -117.27 -18.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 98.4 mt -118.97 123.14 29.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 172.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -55.39 154.32 24.58 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.632 1.555 . . . . 0.0 111.202 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.5 t -74.77 135.75 41.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.88 147.77 27.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.6 p -84.89 168.51 14.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.44 -40.2 68.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.269 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.86 -40.11 75.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -57.96 -48.95 78.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.21 -27.33 60.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.173 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.7 87.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.6 mt -134.02 76.69 63.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.29 -37.43 97.78 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.708 1.606 . . . . 0.0 111.211 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -76.14 -10.19 59.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.2 mmm -100.83 3.75 42.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 t -119.29 101.9 48.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -54.19 -33.33 74.41 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.674 1.582 . . . . 0.0 111.205 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.5 m -54.05 -36.84 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.58 -49.26 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.269 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.68 -40.77 80.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.201 -170.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.0 p -90.75 1.47 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -171.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.416 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 62.8 m-80 -125.5 110.35 25.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 54.5 Cg_endo -68.15 -16.53 44.61 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.693 1.595 . . . . 0.0 111.177 -178.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.5 m -62.91 -22.86 67.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.255 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' ' 121' ' ' ILE . 82.5 m-70 -90.82 -4.95 56.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -107.54 148.3 29.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.59 151.65 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -114.66 121.61 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.217 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.0 mt -78.94 126.97 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.1 p -94.6 -43.6 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -177.09 149.34 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -99.42 149.48 23.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -107.52 -51.99 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -158.49 149.21 20.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.19 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.0 p -135.85 139.19 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 172.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 52.5 t -159.22 127.73 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.19 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 55.66 40.87 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 65.49 19.85 11.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -113.05 108.19 16.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 176.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -103.89 140.65 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.244 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -118.94 122.6 42.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.33 -177.58 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 -172.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 t -125.03 141.18 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.2 pt -130.02 160.69 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -144.69 145.16 31.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -103.77 -149.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 170.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.4 m -70.71 -23.12 62.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.7 p -103.28 -106.88 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -101.02 -176.6 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -119.22 159.98 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -172.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.4 tp -146.21 150.71 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.55 143.45 48.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.235 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.44 148.71 28.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -133.52 152.34 51.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -120.85 138.11 54.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.218 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 59.6 p -70.14 159.47 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.279 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -50.97 -44.1 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.49 -39.26 91.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.7 t -51.6 -58.04 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.78 -42.52 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -174.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.1 m -54.84 -49.84 70.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.58 -45.37 90.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -50.94 -46.43 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.62 -42.28 91.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.17 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.87 -40.07 95.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.9 m -72.05 -49.61 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.427 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 96.6 m-70 -98.18 -7.42 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.222 -168.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 54.45 38.83 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 31.5 p -160.26 167.78 26.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.92 144.17 33.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.0 tt -70.05 -12.94 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.9 p -99.64 -9.45 23.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.261 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -97.54 115.81 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -172.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 59.89 46.63 10.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 64.6 p -127.64 -7.9 5.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.223 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.4 p -72.54 -17.54 61.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -173.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -114.71 21.76 14.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.0 m -117.97 170.61 8.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.2 mt -98.93 146.66 25.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.267 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 62.8 ttp -118.82 134.41 55.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -175.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 65' ' ' HIS . 4.9 mp -113.21 119.93 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 176.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.2 pt -115.2 152.69 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.277 -170.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.59 162.32 29.57 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.6 t0 51.78 70.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.8 148.12 51.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 -174.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -135.24 170.07 16.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.7 mt -99.64 134.68 42.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.7 t -129.73 129.72 66.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.41 120.0 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.214 172.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.5 m -123.94 148.96 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 172.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.3 p -93.03 168.69 10.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.254 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -49.5 -41.91 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.3 p -58.33 -33.45 69.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.18 -35.45 36.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.268 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.03 -37.99 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.5 tpp -79.9 -45.66 18.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.232 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.3 t -66.89 -42.4 85.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -172.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -109.69 -47.02 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 -169.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -85.5 -12.52 51.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.227 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 65.14 35.55 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 20.0 tt -152.84 129.79 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.5 t -60.05 132.89 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.23 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.11 -29.52 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.7 p -62.83 -21.41 65.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -174.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -99.35 -14.28 19.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.256 -173.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.1 pt -120.8 -0.81 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 148' ' ' SER . 53.5 p -152.87 -34.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 169.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 147' ' ' SER . 20.0 m 68.55 24.35 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -174.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -120.11 172.75 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -86.34 -27.02 24.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 90.0 mt -130.1 140.56 48.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.14 134.49 13.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.92 133.03 16.22 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.75 1.634 . . . . 0.0 111.205 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 32.8 m -127.84 160.82 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.1 tp -98.68 120.27 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.236 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -104.42 120.59 41.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 176.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.6 t -110.19 126.98 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -174.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -81.41 -40.43 23.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -134.31 140.01 46.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -162.51 149.16 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 44.5 p -132.61 161.29 34.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 170.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 87.8 mt -131.84 131.95 61.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.226 -173.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.43 140.7 49.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -77.73 97.24 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 80.9 mt -120.56 -73.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -105.02 135.11 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -64.08 129.97 42.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.19 136.36 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.227 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.09 168.26 54.76 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 86.6 p -79.63 166.57 21.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 68.5 tp -74.39 134.05 42.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.236 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.0 t -130.61 -149.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 172.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 42.3 p -80.83 57.78 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 175' ' ' PRO . 22.8 m-30 -79.96 130.81 65.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.238 -177.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 174' ' ' PHE . 73.3 Cg_exo -56.22 140.57 87.84 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.745 1.63 . . . . 0.0 111.192 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -94.41 139.68 30.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . 0.408 HG22 HG22 ' A' ' 22' ' ' ILE . 50.3 t -56.4 -50.54 71.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -64.54 -45.17 88.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.97 -37.11 66.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -119.85 34.75 5.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.453 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.6 p -117.53 17.94 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -54.15 135.23 44.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.1 p -78.23 -10.31 59.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.3 t -49.97 -44.86 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -102.56 8.09 39.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.241 -175.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -107.81 12.47 27.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.243 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -71.6 149.54 93.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.172 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.71 133.92 59.78 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.776 1.651 . . . . 0.0 111.197 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -140.15 -20.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 175.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.5 mt -69.68 -40.05 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.47 -49.44 77.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 171.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.32 -36.93 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 176.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.0 tp -61.0 -50.17 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 pt -76.43 -19.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.27 -43.69 69.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.69 -26.93 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -134.96 61.69 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.0 p -63.4 -25.02 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.212 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -87.37 75.64 9.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -70.21 -20.1 63.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -173.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -93.29 -3.29 53.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.267 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -120.01 5.13 10.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.208 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -55.37 145.02 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -49.79 129.96 20.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -54.34 -36.53 87.35 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.713 1.609 . . . . 0.0 111.211 -175.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.3 m -118.26 19.76 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.93 163.3 50.85 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -136.77 152.74 50.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.6 t -111.31 -40.06 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.6 mt -119.95 119.71 30.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -54.58 153.51 23.32 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.733 1.622 . . . . 0.0 111.212 -175.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.2 t -70.58 132.75 45.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.51 146.66 23.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.4 p -85.71 170.1 12.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.3 -40.04 67.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 172.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -68.44 -40.55 81.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.48 -46.38 90.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.21 -36.82 77.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.85 -41.28 83.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.5 mt -137.3 74.8 47.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.87 -22.28 27.18 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 121.677 1.584 . . . . 0.0 111.203 -177.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -80.36 -5.62 56.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 96.1 mmm -108.52 17.32 22.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.264 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -121.9 88.34 47.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 86.9 Cg_exo -52.54 -30.76 46.06 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.653 1.568 . . . . 0.0 111.216 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.0 m -49.92 -45.65 51.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.2 pt -94.66 -22.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 -175.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 95.4 mt -66.49 -21.45 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.2 p -105.54 17.62 23.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 175.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.462 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 62.2 t-20 -139.76 102.33 7.08 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.236 -179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -61.78 -20.44 69.14 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.698 1.599 . . . . 0.0 111.189 -174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.462 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 88.4 m -60.58 -24.56 65.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 -173.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -89.28 3.22 52.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 -175.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.72 139.92 50.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -176.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.37 153.11 31.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.236 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -111.67 101.64 10.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.204 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.36 125.53 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 173.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.7 p -102.12 -29.91 11.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.2 tttt 179.98 142.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -176.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -101.36 160.04 14.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.422 ' O ' ' HB3' ' A' ' 74' ' ' ASN . 94.4 m-85 -108.01 -54.67 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 73' ' ' TYR . 23.8 p30 -173.23 179.92 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -176.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.6 t -129.0 126.65 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.0 t -149.48 143.26 25.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.198 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 59.72 31.22 20.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 64.8 21.54 12.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -178.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.66 147.41 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.5 t -104.88 123.86 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 -176.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -105.13 119.94 40.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.83 -174.48 4.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -125.96 141.07 52.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.3 177.3 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -160.0 170.44 21.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -130.03 -149.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 165.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.3 m -84.92 4.36 33.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -174.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.1 t -129.17 -67.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.263 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -119.1 159.53 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -166.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.433 ' H ' ' HB2' ' A' ' 176' ' ' PHE . 53.1 mt-30 -113.04 150.03 32.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 174.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.3 tt -151.22 144.57 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 -174.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.4 148.95 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.194 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 p -137.23 140.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -119.59 124.12 45.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.583 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 85.5 m-85 -98.75 119.85 38.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.9 p -67.24 168.48 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -174.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -56.81 -42.05 78.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.29 -44.42 84.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.583 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 50.2 t -58.14 -60.56 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.218 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.94 -30.39 49.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.229 -175.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.1 t -64.47 -53.55 46.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.39 -42.13 92.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.223 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -54.32 -43.59 71.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -69.99 -39.97 75.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.217 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.03 -36.62 82.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 176.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.9 m -74.47 -50.3 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.404 ' NE2' ' OG1' ' A' ' 161' ' ' THR . 93.3 m-70 -108.46 0.88 21.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -168.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.12 38.64 30.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.24 163.48 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.22 159.42 23.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.48 -23.15 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.1 p -85.31 1.15 49.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.0 p -77.1 -129.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.9 68.26 9.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.246 -171.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 54.3 p -127.12 -13.03 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -75.95 -10.29 59.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 -171.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -124.92 20.04 8.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.7 m -121.94 165.02 16.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 60.4 tp -92.8 122.9 35.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -108.42 148.52 30.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -167.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 161' ' ' THR . 46.6 mm -110.05 133.25 56.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.35 139.48 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.26 155.63 25.7 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 40.7 t0 49.12 60.27 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 0.0 111.212 177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.12 150.33 49.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -140.05 154.47 47.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.7 tp -77.1 129.07 35.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.0 -170.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -139.88 159.08 42.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.0 p -124.98 136.88 59.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 173.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 65.4 p -89.98 157.62 17.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -53.53 -42.92 67.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.8 t -63.82 -50.51 68.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -55.78 -43.94 77.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 177.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.84 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.248 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 58.4 ttm -65.71 -40.88 92.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.151 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.4 t -81.33 -67.56 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.292 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.82 -57.9 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -80.5 -14.74 58.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -173.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 66.7 30.94 7.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.7 tt -154.16 120.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.7 t -64.77 150.34 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.7 mt -84.13 -9.94 58.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.8 p -70.28 -10.33 58.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.27 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -92.01 -10.71 38.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.5 pt -129.91 -7.91 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.214 -175.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 91.1 p -149.97 160.72 43.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 92.3 p -98.11 1.78 47.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 172.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -116.56 172.95 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 175.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -95.8 7.57 45.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -172.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.6 pt -133.76 143.91 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' 153' ' ' PRO . 74.1 t -137.31 136.6 20.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 176.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 152' ' ' VAL . 68.9 Cg_exo -57.04 136.75 78.55 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.701 1.601 . . . . 0.0 111.217 177.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 53.5 t -139.38 146.92 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 55.2 tp -100.09 127.01 46.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 174.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -100.03 114.07 27.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.2 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 84.3 t -109.87 143.74 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.251 -173.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.25 -22.11 4.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -177.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -126.71 140.13 52.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 170.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -153.47 150.02 28.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.413 HG23 ' HB ' ' A' ' 121' ' ' ILE . 13.0 t -159.16 -179.44 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 172.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 93.6 mt -107.6 134.91 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -99.85 -54.09 3.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -159.29 174.47 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 -173.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 43.6 pt -97.8 31.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.15 127.29 30.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -61.1 138.79 58.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 22.6 m -110.17 168.11 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.244 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -82.21 179.23 53.29 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 97.1 p -89.69 164.69 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.212 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 64.4 tp -90.23 122.59 33.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.225 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 97.1 p -78.83 165.37 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.22 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 97.4 m -76.6 -28.05 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -124.37 113.49 27.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -51.78 126.53 20.1 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.775 1.65 . . . . 0.0 111.209 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . 0.433 ' HB2' ' H ' ' A' ' 90' ' ' GLN . 22.1 m-30 -71.54 -23.69 61.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -173.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.89 -23.58 33.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -90.26 -50.4 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.285 174.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -53.95 -38.27 64.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.162 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -114.63 28.0 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 -177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 -179.762 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.749 0.309 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.0 p -89.68 -15.68 32.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.24 134.48 56.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.209 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.7 m -69.79 -20.2 63.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.237 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.29 -49.97 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.239 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -94.26 5.82 50.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.93 119.93 19.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -81.9 158.0 68.26 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.233 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.89 161.65 44.78 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.679 1.586 . . . . 0.0 111.237 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.9 p90 -149.99 -26.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.235 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -51.13 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.226 -169.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.03 -44.56 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.04 75.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.234 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.06 -33.46 76.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 -173.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.5 -59.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 177.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.58 -37.47 87.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -170.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -64.12 -26.15 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -120.17 19.81 12.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -174.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 t -161.3 112.93 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -97.25 -169.8 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.265 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -54.81 120.35 6.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.27 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 56.97 35.21 26.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -117.43 146.83 43.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 173.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.79 146.02 27.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -66.08 130.74 94.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.7 168.43 0.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.693 1.595 . . . . 0.0 111.214 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.8 p -85.54 1.89 47.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.301 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.89 161.33 53.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -82.7 156.82 23.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 0.0 111.209 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.412 HG21 HG13 ' A' ' 42' ' ' ILE . 35.3 m -118.08 -18.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.224 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.412 HG13 HG21 ' A' ' 41' ' ' VAL . 95.3 mt -115.46 115.04 42.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.27 172.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -55.1 154.87 20.83 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.755 1.637 . . . . 0.0 111.198 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.5 p -73.18 160.05 32.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -124.05 167.59 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.0 p -118.93 168.25 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -49.41 -40.0 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.26 -32.35 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.21 -177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -75.37 -43.62 49.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.72 -27.84 62.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.97 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -131.82 73.35 78.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.29 -26.64 29.58 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.65 1.566 . . . . 0.0 111.22 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -80.3 -9.99 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.273 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.8 mmm -104.09 -0.2 28.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.0 t -120.97 109.18 35.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.259 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -53.88 -30.45 58.11 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.687 1.591 . . . . 0.0 111.204 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 m -50.12 -35.89 27.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.7 mt -100.01 -48.64 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.81 -41.38 70.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -169.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.9 p -104.97 14.41 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -170.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -128.31 102.36 21.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.5 -27.94 61.82 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.652 1.568 . . . . 0.0 111.226 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.9 m -59.98 -24.31 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -93.15 9.75 34.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.189 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.3 166.24 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 174.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.43 145.94 18.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 171.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -101.6 121.1 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.4 mt -81.78 134.98 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.2 p -111.58 -40.05 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -176.85 147.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' A' ' 82' ' ' ALA . 58.2 m-85 -101.04 143.69 30.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 169.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -110.46 -50.11 2.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.256 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -134.4 153.04 52.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.198 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -146.53 121.54 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 61.4 m -130.18 175.29 9.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 174.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -76.24 -11.94 60.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -115.5 -33.39 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -175.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 99.0 mttt -146.24 139.8 26.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -175.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.428 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 96.5 t -126.67 139.41 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 174.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -121.82 118.04 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -174.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . . . -143.16 -177.28 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.14 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.4 t -126.63 139.9 52.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.9 pt -129.64 -176.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -158.84 169.32 24.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -117.03 -138.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 168.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 m -106.25 13.41 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.6 t -120.72 -54.36 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -162.95 -178.42 6.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -92.96 172.44 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.4 tt -165.65 139.21 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 170.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.48 148.24 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.89 137.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -174.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -120.51 126.31 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.579 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 83.8 m-85 -99.79 133.42 44.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 76.9 p -74.71 168.43 19.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.251 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -56.62 -40.05 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 171.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.1 -46.92 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.18 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.579 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 51.2 t -55.97 -50.94 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 176.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 68.4 t -55.19 -49.96 67.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.6 m -57.83 -48.42 79.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -57.7 -44.96 86.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -58.52 -51.93 67.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.205 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.28 -31.5 71.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.81 -29.94 69.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -103.38 -22.43 13.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.179 -171.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.609 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 76.8 m80 -109.56 -22.47 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 -176.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 48.94 48.27 20.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.609 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 27.8 p -162.78 -176.42 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.87 144.34 37.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.5 tt -68.71 -14.7 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.3 p -97.25 -9.11 28.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.221 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.8 t -90.85 116.7 28.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -172.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 60.07 44.02 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.221 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 49.0 p -130.09 -14.73 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.2 p -70.51 -13.58 62.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 -168.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -129.06 20.09 5.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 82.3 m -110.01 138.43 46.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.6 tp -63.53 143.68 57.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 174.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 33.5 ttp -124.25 144.11 50.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.287 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.0 mt -113.74 126.2 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 70.9 mt -114.47 147.63 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -169.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.73 152.53 24.25 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 43.4 t0 50.37 76.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -141.3 147.79 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -129.93 168.4 16.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.218 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.7 mt -111.89 133.97 53.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.06 153.6 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -91.88 139.53 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.0 m -125.0 157.43 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.7 p -90.92 174.81 7.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -174.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -53.31 -53.61 48.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.5 p -55.04 -42.77 73.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 42.3 mmt180 -60.1 -49.58 77.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.63 75.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.8 mtp -72.35 -43.3 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.5 p -79.99 -21.59 43.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.212 -173.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -105.1 -42.7 5.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.267 -174.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 97.0 m-85 -117.75 -10.3 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -171.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 89.7 mttt 71.08 35.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 88.8 mt -129.02 111.75 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.1 t -69.75 132.34 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 169.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 80.3 mt -95.18 -36.58 11.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.3 p -72.78 -12.52 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.174 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -109.45 14.99 23.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 19.8 tt -143.16 -15.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.235 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.3 p -145.04 167.96 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 94.0 p -83.61 -18.68 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -107.23 151.69 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -102.67 10.91 38.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -129.14 145.76 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.259 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.6 m -139.41 151.67 67.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.24 145.39 30.6 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.731 1.62 . . . . 0.0 111.216 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.17 135.05 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 45.0 tp -86.6 110.22 19.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -85.84 112.45 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 96.8 t -109.86 127.18 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -169.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -91.93 -50.42 5.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -111.29 136.54 50.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.191 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.69 138.69 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 88.4 m -133.25 129.83 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 91.5 mt -101.52 129.76 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 -174.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -117.44 151.17 37.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 -172.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -100.04 19.89 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 40.2 pt -81.1 -12.16 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -157.43 121.62 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.228 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -83.04 150.09 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.2 m -130.62 164.39 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -77.34 137.6 20.61 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 91.7 p -84.88 170.94 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.91 99.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 80.4 p -158.16 25.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -176.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 57.7 p -128.98 176.65 7.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 -175.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -75.82 149.81 83.39 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.227 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.98 137.02 75.23 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.699 1.599 . . . . 0.0 111.236 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -121.69 -48.11 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . 0.422 ' O ' ' HB2' ' A' ' 181' ' ' LEU . 9.8 p -66.86 -20.04 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -99.15 -23.07 15.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.06 -37.41 61.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -110.93 12.49 22.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.253 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 177' ' ' VAL . 27.1 tp . . . . . 0 C--O 1.2 -1.545 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -79.36 -8.51 59.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 177.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -90.32 -0.21 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p -64.42 -18.64 64.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.1 m -65.72 -19.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -86.67 -9.26 56.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.252 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 5.3 mp -77.77 68.47 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 -177.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -105.81 158.05 33.28 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -53.96 128.61 30.42 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.747 1.631 . . . . 0.0 111.204 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -158.43 -37.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.03 -39.12 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.224 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -52.81 -51.44 60.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 173.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.18 90.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.52 -42.72 98.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.173 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.3 mt -65.56 -39.95 86.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.211 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.89 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.212 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.97 -34.33 77.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -102.95 29.9 5.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.9 p -64.71 -22.9 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -79.81 72.02 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -65.28 -21.22 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.49 -29.53 70.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -101.44 8.39 42.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.184 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -82.96 124.61 30.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -177.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -59.17 130.7 87.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -53.03 -38.99 80.93 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.772 1.648 . . . . 0.0 111.2 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.0 m -110.13 19.62 18.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.93 149.52 25.53 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -125.84 159.62 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 111.234 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.5 t -90.27 -39.71 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.4 pt -133.47 60.77 49.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -176.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -81.2 -3.78 12.28 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.708 1.605 . . . . 0.0 111.2 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -66.45 -24.37 66.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 mt -78.13 145.51 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.8 p -117.36 178.71 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.96 -36.82 77.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -67.92 -38.62 83.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.225 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -62.38 -46.61 87.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.08 -28.04 61.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.92 99.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 mt -131.07 78.99 72.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -60.55 -34.94 92.03 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.753 1.635 . . . . 0.0 111.173 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -74.9 -6.93 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.9 mmm -109.81 14.55 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 173.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 t -130.56 95.23 27.25 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.223 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.95 -32.05 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.683 1.588 . . . . 0.0 111.222 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -52.91 -37.4 60.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.0 mt -80.88 -50.09 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.244 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.6 -35.08 76.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.216 -166.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.9 p -94.58 -5.72 45.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.22 -169.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -120.04 123.82 28.17 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.472 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . 74.1 Cg_endo -79.29 -13.22 13.85 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.696 1.598 . . . . 0.0 111.196 -172.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.6 p -73.59 -6.58 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.215 -171.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -97.26 -9.5 27.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.226 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -99.86 143.83 29.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 -174.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.82 143.79 24.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.96 106.19 14.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.06 134.43 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.224 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.5 p -107.93 -31.15 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 -177.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -169.93 140.11 2.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.01 145.39 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 166.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -105.88 -50.01 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 -175.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -168.64 164.38 12.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.82 121.6 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 174.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.556 ' SG ' ' HE2' ' A' ' 81' ' ' TYR . 31.1 p -160.88 164.25 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 56.64 31.68 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 62.25 24.37 14.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.223 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.84 147.47 52.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.41 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 93.9 t -109.35 132.57 57.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 179.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' HE2' ' SG ' ' A' ' 76' ' ' CYS . 66.1 m-85 -116.06 117.46 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -172.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.16 -178.55 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -173.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -132.63 145.72 51.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.11 156.4 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 -176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.484 ' NH2' ' HB2' ' A' ' 174' ' ' PHE . 99.0 mtt180 -117.8 159.08 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.276 169.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -138.38 -160.81 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 174.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.4 m -70.06 -19.94 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.226 -173.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.4 p -98.26 -79.56 0.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.195 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.73 -171.96 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.311 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 57.3 tt0 -97.88 141.76 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.209 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.5 pt -142.23 175.1 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 170.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.55 162.01 13.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.0 140.0 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -125.24 120.83 32.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.41 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 81.1 m-85 -96.53 117.15 30.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.173 -177.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.5 p -70.37 167.3 18.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 -176.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -55.46 -39.89 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.68 -45.39 94.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.173 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 42.5 t -56.4 -51.56 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.06 -49.09 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -57.87 -49.09 77.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.195 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.01 -43.69 91.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -55.55 -41.75 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.68 -44.45 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.91 -34.91 73.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.5 m -78.7 -53.83 6.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.218 -176.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -105.98 1.47 26.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 -167.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 57.13 35.31 26.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.8 p -162.21 172.26 16.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.8 158.08 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.8 tp -62.59 -21.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.7 p -89.18 -2.21 58.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m -76.36 70.22 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 50.17 55.6 9.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.229 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 61.8 p -102.5 -1.39 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 174.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.6 m -57.1 -40.47 77.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -99.57 30.25 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.7 m -127.39 149.67 49.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 173.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.5 tp -76.02 120.16 20.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.186 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 65.4 ttp -99.43 135.27 41.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.19 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 83.7 mt -119.98 121.84 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.9 pt -111.81 160.05 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.179 -170.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.67 160.79 28.96 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.1 t70 54.85 40.16 31.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.195 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -101.63 149.14 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -124.1 161.42 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.205 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.5 tp -103.58 127.59 50.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 -174.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.05 -177.24 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -127.5 146.01 50.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 175.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.3 p -126.7 145.88 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 174.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.9 p -94.59 165.39 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -50.04 -57.45 7.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.5 m -59.34 -41.68 89.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.19 -174.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -69.08 -50.57 47.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.72 -31.03 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.14 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 67.3 ttp -54.41 -37.33 64.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.0 p -113.96 -13.75 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 -171.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -100.1 -50.64 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -93.56 -3.19 53.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.162 173.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 61.21 34.28 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.696 ' O ' HG23 ' A' ' 141' ' ' ILE . 8.7 tp -156.68 103.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 90.9 p -60.59 154.66 20.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.42 -32.48 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -171.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 88.3 p -74.57 -9.88 59.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 -176.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -105.9 3.03 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.4 pt -128.72 -12.92 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 52.1 p -146.2 179.91 7.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 92.1 p -91.16 -0.1 57.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -116.58 151.78 35.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.283 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -103.95 6.07 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.243 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -135.0 134.23 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.75 133.98 20.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.66 149.99 79.32 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.685 1.59 . . . . 0.0 111.209 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 84.7 t -131.54 139.91 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.33 116.07 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 170.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -95.37 107.63 19.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.206 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 82.0 t -101.77 138.82 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -166.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -110.91 -23.02 11.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.176 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -140.95 141.82 34.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 175.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.92 146.58 20.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 82.6 p -139.29 170.08 16.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.192 172.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 49.1 mm -101.36 136.01 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -91.87 -60.03 1.97 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.205 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -166.35 163.55 17.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.99 133.15 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -160.77 98.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -54.97 133.24 48.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -173.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 49.2 t -124.05 140.15 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.178 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -65.71 155.18 50.36 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 84.7 p -81.52 -179.96 7.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 111.169 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.46 121.6 12.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 85.0 p -156.7 177.46 11.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 88.1 m -58.46 120.07 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.236 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.484 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 21.1 t80 -163.76 132.05 2.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.251 -177.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -55.61 142.04 82.53 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.704 1.603 . . . . 0.0 111.222 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -103.95 154.84 19.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 173.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.98 -42.49 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -56.14 -34.86 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -176.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.9 -31.51 60.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -120.25 27.53 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.246 -178.397 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.796 0.331 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' H ' ' HB3' ' A' ' 63' ' ' PRO . 81.3 mm-40 -117.93 157.2 49.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 178.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -55.07 136.31 72.52 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.701 1.601 . . . . 0.0 111.174 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -150.32 -28.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.89 -49.94 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.72 -57.21 12.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.61 79.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.6 tp -61.67 -46.6 89.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.29 -31.39 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.54 -42.82 86.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -73.86 -15.28 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -71.38 138.61 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.161 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.88 -22.34 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 -173.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.5 pt -130.76 158.71 74.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.01 155.55 54.86 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.715 1.61 . . . . 0.0 111.182 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.3 t -76.96 129.25 35.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.227 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.58 155.98 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -99.78 171.34 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.73 -31.76 69.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -68.52 -40.64 80.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.92 -40.38 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -68.74 -33.11 73.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.33 -43.45 81.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.0 mt -137.78 73.14 47.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.226 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.53 -26.13 14.38 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.717 1.611 . . . . 0.0 111.224 -177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -80.23 -4.41 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.0 mmm -113.78 10.03 17.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -112.66 107.59 54.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.88 -36.03 90.51 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.706 1.604 . . . . 0.0 111.234 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.9 m -53.01 -37.91 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.233 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -84.62 -43.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.23 -37.84 81.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 -172.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.7 p -90.49 0.18 57.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -122.29 98.31 44.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 71.8 Cg_exo -54.85 -25.04 41.38 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.665 1.576 . . . . 0.0 111.205 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.1 m -59.4 -27.15 65.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -175.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -81.4 -16.83 51.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -87.55 136.61 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 -176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.86 159.63 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -124.23 142.18 51.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.7 mt -94.38 128.94 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.2 p -107.72 -28.19 9.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -179.97 147.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -110.9 160.34 16.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -108.0 -61.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.248 -175.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -169.96 177.79 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 -171.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.29 129.89 65.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 49.7 t -148.16 139.96 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.227 -175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 58.1 35.04 24.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.217 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 64.98 21.0 12.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -122.74 138.74 54.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -94.72 131.92 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.214 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CE2' ' HB3' ' A' ' 138' ' ' HIS . 96.9 m-85 -114.35 114.84 26.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.65 -178.76 5.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.6 t -125.99 131.61 52.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 pt -130.74 164.67 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -151.2 -175.87 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -138.91 -150.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 172.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.6 m -66.08 -20.19 66.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.2 p -106.84 -108.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.216 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -98.59 173.5 6.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -163.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' H ' ' HB2' ' A' ' 176' ' ' PHE . 30.2 tt0 -115.76 144.9 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 -173.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.8 tt -147.27 148.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.79 152.3 43.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.8 p -137.94 137.57 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -116.55 129.83 56.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -102.24 117.39 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.223 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 79.6 p -64.22 163.03 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -174.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -55.6 -40.14 71.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.2 -46.05 91.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 174.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.4 t -56.62 -48.34 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.73 -50.13 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -56.89 -50.0 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.76 -46.88 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.205 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.99 -45.66 71.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -40.96 95.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.16 -39.07 91.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.5 m -73.75 -50.04 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.523 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.8 m-70 -102.62 -9.15 20.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -167.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 54.87 40.13 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.523 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 28.8 p -161.64 176.12 11.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.249 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.02 158.72 17.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.83 -17.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 76.6 p -101.64 4.25 40.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.2 m -70.23 84.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 46.23 60.02 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.0 p -112.47 2.74 16.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.235 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.9 p -78.38 -5.48 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -171.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -124.14 19.94 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.64 168.42 9.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.17 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.2 tp -107.69 124.13 49.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.1 ptm -110.06 158.56 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -169.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.0 mm -126.7 132.35 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 173.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.3 154.4 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.56 154.55 25.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.4 t0 52.75 45.79 28.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.163 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -107.68 152.51 24.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.0 164.83 23.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 153' ' ' PRO . 59.4 tp -108.76 129.77 55.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.9 139.52 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -96.09 137.0 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.1 m -125.55 161.26 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.4 p -97.6 178.0 5.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -57.02 -55.74 30.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.5 p -59.53 -33.49 71.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 57.0 mmm-85 -66.21 -51.82 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.5 -30.17 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.199 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 66.4 ttp -70.03 -39.94 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.228 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 96.0 p -85.58 -22.57 27.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.411 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . 68.5 m-70 -103.27 -63.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -176.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -80.09 -9.41 59.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 69.18 30.85 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 141' ' ' ILE . 6.8 tp -149.13 120.02 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.9 t -65.25 143.38 57.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.2 -20.38 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.6 p -58.79 -23.16 59.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -174.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -99.98 -11.83 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.6 pt -137.82 32.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.2 p -162.61 164.72 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 176.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.0 p -104.18 -10.63 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 170.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -129.89 154.82 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -77.18 -15.27 59.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.9 mt -122.71 121.65 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.9 m -132.78 151.74 78.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.404 ' HB2' HD11 ' A' ' 127' ' ' LEU . 78.8 Cg_endo -75.86 144.63 27.74 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.648 1.566 . . . . 0.0 111.211 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 79.4 t -136.95 142.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.74 127.55 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -108.38 110.73 22.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.64 133.53 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 -170.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -106.37 -29.74 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.227 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -119.88 132.67 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -149.31 143.89 26.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.1 t -150.06 138.28 20.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 94.2 mt -125.67 127.6 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.186 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.88 145.7 51.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -76.96 71.85 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 96.6 mt -101.42 -58.66 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -115.88 118.18 32.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.22 130.93 49.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.26 140.89 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.791 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.418 ' HB2' ' H ' ' A' ' 90' ' ' GLN . 97.5 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.795 0.331 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.52 -33.85 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 178' ' ' TYR . 5.7 m-30 -86.95 -8.34 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -97.9 -29.47 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.224 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -119.93 36.75 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 -177.774 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.893 0.378 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -70.01 157.58 89.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.179 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.1 141.52 57.64 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.657 1.571 . . . . 0.0 111.232 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -139.66 -16.09 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.8 mt -75.84 -34.24 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.197 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.66 -39.97 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 169.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.93 84.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.195 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.17 -44.14 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.01 -47.63 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.99 -47.03 86.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.23 -36.9 81.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.192 -178.803 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.516 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -66.17 137.79 57.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.174 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.7 m -121.82 -13.06 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.1 mt -118.94 129.8 25.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -53.07 151.03 22.3 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 121.734 1.623 . . . . 0.0 111.157 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.0 t -64.38 136.58 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.217 -173.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' HA3' ' A' ' 123' ' ' GLY . 9.7 tp -85.4 140.07 31.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.21 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.8 p -101.89 170.26 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.95 -36.51 84.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.76 -37.63 88.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.71 -45.85 92.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.25 -48.5 78.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.167 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.18 68.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.5 mt -135.98 77.09 50.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -173.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -68.96 -26.14 31.7 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.657 1.572 . . . . 0.0 111.213 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -84.05 -3.69 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.2 mmm -110.21 14.07 22.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 t -117.69 107.58 44.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -53.91 -35.52 80.37 Favored 'Trans proline' 0 C--N 1.328 -0.535 0 C-N-CA 121.734 1.623 . . . . 0.0 111.206 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.2 m -54.56 -36.12 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.7 mt -83.78 -44.15 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.255 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.38 -31.1 70.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.189 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.7 p -102.47 10.83 38.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -130.94 113.35 16.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.64 -17.85 42.76 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.651 1.567 . . . . 0.0 111.175 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.5 m -64.54 -19.32 65.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -96.66 14.98 23.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.172 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.22 136.92 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.96 144.49 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -110.45 109.0 19.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.5 mt -75.31 123.09 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -97.38 -20.45 17.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -170.06 141.4 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.268 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.18 144.19 27.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 167.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -101.06 -59.74 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -170.4 170.23 7.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 -177.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.68 114.49 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.0 140.0 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 54.89 34.61 22.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.219 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 64.05 25.73 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.06 125.14 47.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.53 134.55 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -117.75 121.85 41.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.51 -177.81 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -175.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -127.88 139.83 52.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.2 pt -130.91 148.52 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.3 ptt85 -130.11 160.03 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.215 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -112.34 -141.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 167.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.0 m -101.22 17.5 22.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.193 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 t -139.13 -64.43 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -129.32 168.48 16.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.244 -172.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -125.0 139.08 54.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.0 pt -132.05 174.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.46 ' HB2' HG22 ' A' ' 154' ' ' VAL . 97.9 mt -92.43 156.56 17.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.206 170.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.53 142.54 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -132.06 142.14 49.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -114.95 128.27 56.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 73.9 p -65.9 162.48 18.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -55.5 -40.03 71.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.237 174.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.95 -42.58 94.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 96' ' ' SER . 43.2 t -55.32 -52.21 64.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 175.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.99 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.6 m -56.58 -50.09 72.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -63.43 -45.37 91.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.213 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -54.96 -48.8 72.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.03 -42.9 79.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.65 -39.2 93.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.22 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -70.91 -49.63 43.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.246 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -99.73 -9.58 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -168.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 54.43 42.67 31.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.168 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.8 p -155.52 167.06 31.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.67 165.49 20.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.9 tp -65.48 -20.0 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.3 p -96.7 -9.68 28.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.1 t -96.6 124.13 40.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 60.04 37.81 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.6 p -124.61 -19.54 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.0 m -60.06 -41.54 92.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.5 p-10 -98.71 21.01 11.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 72.1 m -129.5 170.12 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.2 mt -100.48 138.71 37.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.251 172.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.0 tpp -85.35 129.15 34.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.235 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 43.1 mm -105.45 101.37 12.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.0 mt -98.81 137.28 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.487 ' HA3' ' HB2' ' A' ' 45' ' ' LEU . . . -147.63 170.59 28.35 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.8 t0 41.25 67.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.239 -171.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.74 145.22 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -124.83 150.02 46.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 49.4 tp -101.13 129.69 47.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.217 -174.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.1 177.22 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -127.6 139.37 52.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.58 160.1 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.1 p -91.74 176.75 6.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.255 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -50.1 -56.46 10.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 172.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.6 p -66.98 -35.95 81.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -59.99 -48.17 82.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.04 85.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 67.1 ttp -55.92 -39.86 72.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.233 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.0 t -75.94 -55.62 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -75.01 -50.01 17.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 -171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -97.05 -1.89 44.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.211 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt 66.34 30.05 9.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 141' ' ' ILE . 18.5 tt -152.33 119.94 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 94.4 p -70.35 160.23 32.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.02 -36.86 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.198 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 80.8 p -75.72 -10.1 59.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.156 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -104.6 -0.84 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.252 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 47.2 pt -122.85 -18.73 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.8 p -148.25 177.49 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 98.6 p -91.17 0.47 57.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -119.61 150.25 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -116.42 -11.44 11.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 81.8 mt -88.97 96.95 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -120.88 131.5 24.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.36 144.01 32.17 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.7 1.6 . . . . 0.0 111.222 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' A' ' 92' ' ' LEU . 84.7 t -134.69 131.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 48.6 tp -93.76 110.62 22.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -88.0 114.12 24.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 81.1 t -107.41 125.93 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 -170.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -87.81 -41.59 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -133.47 143.51 48.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.246 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.88 20.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.4 t -139.11 -170.37 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 173.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 6.4 tp -140.62 146.66 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 -173.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -158.96 140.58 13.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.22 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -77.33 111.42 12.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -173.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 86.0 mt -131.58 -50.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -143.07 117.14 9.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.224 -173.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 66.0 tt0 -57.24 133.48 55.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.213 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 67.7 t -104.28 130.14 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.239 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -177.893 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.807 0.337 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.06 -49.72 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -68.6 -20.09 64.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -74.55 -35.9 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -120.43 33.37 5.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 40.9 tp . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -178.106 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.801 0.334 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -64.66 159.0 65.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.239 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.71 130.22 36.07 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.713 1.609 . . . . 0.0 111.185 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -137.35 -21.5 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.26 -40.99 88.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.07 -53.71 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.254 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.93 -40.06 75.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tt -56.92 -59.97 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.269 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.6 pt -73.95 -20.1 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -77.49 -51.39 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.79 -30.56 70.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 179.74 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -124.29 156.59 36.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 111.184 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.42 -45.93 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.218 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.17 123.24 49.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -56.37 150.86 48.01 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.748 1.632 . . . . 0.0 111.147 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.8 t -70.97 143.29 50.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HG ' ' HA3' ' A' ' 123' ' ' GLY . 91.1 mt -78.18 135.98 37.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.222 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.3 p -84.62 173.59 10.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.242 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.15 -44.38 79.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -65.6 -40.71 92.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.83 -47.04 86.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.88 -42.44 81.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.98 66.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 mt -134.21 79.67 55.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -57.92 -36.73 97.99 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.723 1.615 . . . . 0.0 111.228 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -77.5 -8.14 57.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.9 mmm -105.06 16.37 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.211 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -123.11 92.72 48.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HA ' ' HB3' ' A' ' 60' ' ' LEU . 79.4 Cg_exo -53.86 -31.9 64.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.667 1.578 . . . . 0.0 111.254 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -54.43 -34.39 61.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.7 pt -109.68 -20.0 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 57' ' ' PRO . 61.1 tp -68.35 -38.56 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.9 p -94.94 17.04 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -129.87 101.84 18.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -55.48 -27.96 61.81 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.671 1.581 . . . . 0.0 111.205 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.4 m -55.69 -29.94 60.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.482 ' HB3' HG23 ' A' ' 121' ' ' ILE . 36.7 m-70 -80.15 -18.03 50.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 -176.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -91.49 140.38 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 -173.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -151.29 159.94 44.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -150.02 124.02 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.9 mt -82.29 125.91 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.275 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.4 p -95.24 -23.11 17.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.238 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -167.42 140.06 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.05 147.25 25.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -119.92 -48.13 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -141.41 104.2 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -172.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.95 120.65 53.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.221 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . 80.7 m -127.58 -170.09 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.44 89.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 -176.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 64.19 15.1 9.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 76' ' ' CYS . 99.7 mttt -125.58 100.09 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.9 t -115.58 127.28 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -167.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -107.24 120.76 43.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 174.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.57 -177.12 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -125.76 139.18 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.4 pt -125.75 170.86 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -156.69 164.62 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -117.98 -149.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 171.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.2 m -78.42 -1.5 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 -171.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t -147.41 -61.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -89.88 169.91 10.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.215 -170.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -145.84 150.24 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 tt -157.13 146.73 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 -170.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.58 151.82 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 p -135.28 140.03 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -120.4 119.51 33.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -96.74 117.07 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 80.1 p -71.33 164.51 25.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.227 -171.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -50.23 -47.14 55.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.21 -45.66 92.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.223 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 96' ' ' SER . 46.1 t -54.91 -59.57 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.7 -40.3 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -172.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.2 t -59.86 -50.64 73.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.222 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -66.66 -40.66 88.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -55.0 -44.6 74.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -67.73 -41.48 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.261 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -56.89 -43.75 81.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.1 m -72.97 -51.5 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -103.91 5.83 35.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 -168.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 58.89 29.88 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.4 p -168.57 147.89 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -80.75 171.1 15.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.97 -17.38 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.193 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.5 p -84.74 -15.67 44.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.7 t -107.02 136.07 47.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 59.98 41.45 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.461 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 76.3 p -131.48 -10.13 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.5 m -52.7 -48.7 66.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -172.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -120.97 37.04 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 60.7 m -125.83 170.36 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.261 -175.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.43 123.95 45.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.8 ptp -112.82 160.23 18.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 -173.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.482 HG23 ' HB3' ' A' ' 65' ' ' HIS . 67.3 mt -117.83 139.1 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 169.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 47.1 pt -120.63 165.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.42 ' HA3' ' HG ' ' A' ' 45' ' ' LEU . . . -161.17 172.26 37.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.0 t0 55.0 45.55 26.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 156' ' ' ASN . . . -115.66 138.93 50.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.183 -170.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -124.31 151.65 44.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.214 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 62.8 tp -89.1 127.0 35.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.4 p -139.74 139.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.242 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -102.51 134.0 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.17 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.8 m -124.85 164.91 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.291 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 82.5 p -96.86 164.38 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.281 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -50.0 -43.13 50.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.8 p -55.98 -37.62 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.47 -37.82 56.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.196 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.42 72.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.239 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 79.5 mtm -81.35 -41.17 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.6 p -83.08 -28.71 29.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -170.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -110.97 -48.84 3.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -90.23 -8.32 51.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.252 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 57.9 38.09 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 141' ' ' ILE . 16.6 tt -150.03 119.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 177.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.5 t -71.35 141.77 50.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 82.2 mt -81.34 -15.11 56.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 82.9 p -76.66 -10.07 59.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -98.63 13.18 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.1 tt -144.29 -29.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.4 p -150.08 -179.57 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 88.0 p -101.26 14.0 33.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 171.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -89.17 150.63 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.205 -174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -99.48 -7.72 25.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.24 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -130.06 167.26 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.7 p -153.54 133.61 7.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.218 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.28 140.21 40.19 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.716 1.61 . . . . 0.0 111.234 175.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.26 140.16 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 47.4 tp -95.17 116.11 28.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.273 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 125' ' ' ALA . 43.0 t30 -97.44 111.46 23.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 86.9 t -103.55 142.36 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -170.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.66 -23.88 4.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -122.22 142.93 49.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 172.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.14 153.07 30.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.189 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.8 t -160.03 161.06 33.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 98.7 mt -88.51 129.32 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -100.14 -49.94 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.239 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -162.49 179.39 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 43.3 pt -100.13 35.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.221 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -79.57 110.82 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -75.57 135.78 40.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.261 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 92.0 t -120.81 144.16 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -175.183 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.765 0.316 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.37 -20.05 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -70.0 -23.14 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.279 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -74.5 -7.21 52.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -99.35 0.13 42.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 -178.876 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.855 0.359 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -110.81 150.0 41.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.93 138.96 83.77 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.787 1.658 . . . . 0.0 111.187 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -139.94 -24.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.8 mt -69.38 -46.78 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.181 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -55.32 -55.93 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.89 79.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.227 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HG ' HD22 ' A' ' 127' ' ' LEU . 55.2 tp -56.71 -56.95 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.9 pt -75.94 -18.5 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 -171.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -73.2 -42.47 62.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -67.42 -28.22 67.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.212 177.684 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -64.33 133.65 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.4 t -118.4 -57.58 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 mp -106.15 121.51 45.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.197 -174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -55.19 155.01 20.79 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.691 1.594 . . . . 0.0 111.229 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -70.32 148.39 48.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.2 mt -110.02 158.69 17.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.3 p -105.84 177.07 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.78 -42.33 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.67 -39.59 88.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -64.95 -42.73 94.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.63 -34.26 67.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.08 -43.28 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.234 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.2 mt -135.12 76.9 56.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -57.43 -38.28 94.79 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.676 1.584 . . . . 0.0 111.186 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -75.3 -10.06 59.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.4 mmm -99.86 2.41 43.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -113.36 108.6 52.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -53.56 -37.76 83.19 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.69 1.594 . . . . 0.0 111.284 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.7 m -52.49 -37.57 57.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.255 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.8 -48.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.62 -40.05 92.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -167.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.3 p -88.88 -5.03 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -169.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -120.09 117.37 32.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -68.64 -14.85 40.34 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.691 1.594 . . . . 0.0 111.19 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 95.6 m -63.57 -20.75 65.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -94.64 0.28 54.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.186 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -106.57 144.65 32.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.255 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.85 156.14 40.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -124.19 94.99 4.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 mm -65.67 130.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.184 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.0 p -100.54 -28.35 12.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -173.39 147.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -97.69 129.91 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 170.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -90.16 -56.29 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.168 -169.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -164.17 172.62 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.0 t -129.61 128.88 66.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.464 ' SG ' ' HE2' ' A' ' 140' ' ' LYS . 51.0 t -150.12 143.34 25.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -177.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 62.49 30.29 17.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 64.07 23.15 13.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.25 148.16 49.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.81 129.16 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -172.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 76' ' ' CYS . 82.3 m-85 -113.23 123.12 49.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 -173.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.59 -179.29 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 -173.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.0 m -122.43 138.96 54.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.243 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -113.98 134.53 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -105.43 134.56 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.251 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -116.79 -159.86 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p -61.18 -26.85 67.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.4 t -121.61 -67.22 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -123.73 -178.26 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -167.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -106.03 154.86 20.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 tt -139.85 140.1 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 175.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.7 144.46 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.1 p -135.02 140.09 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -119.85 117.57 28.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -94.17 123.44 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.559 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 72.6 p -69.46 165.81 20.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -174.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -58.35 -41.85 85.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.218 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.13 -35.43 78.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.8 t -56.27 -52.63 63.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 174.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.12 -43.82 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.222 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -56.6 -50.05 73.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.39 -45.64 90.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.211 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -51.55 -46.69 63.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.46 -39.99 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.89 -36.32 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.1 m -76.94 -53.19 8.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.406 ' NE2' ' OG1' ' A' ' 161' ' ' THR . 92.8 m-70 -101.36 -3.26 29.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -167.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.23 41.56 31.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.6 p -160.74 170.97 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.43 155.26 38.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 13.8 tt -67.87 -13.98 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 66.6 p -92.45 -5.15 52.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.0 t -99.38 126.19 45.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 59.91 41.28 18.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.9 p -128.11 -9.77 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.8 p -98.64 -20.8 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 171.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -95.95 1.36 52.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 58.1 m -133.9 172.48 12.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' A' ' 166' ' ' ASP . 98.5 mt -87.4 140.32 29.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.2 tpp -96.29 131.24 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.252 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.6 mm -104.35 130.36 55.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 97.2 mt -101.47 137.27 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.276 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.2 149.71 20.62 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 173.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.4 t0 44.32 73.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.338 . . . . 0.0 111.224 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -131.33 136.68 48.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -115.61 146.74 41.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.425 HD22 ' HG ' ' A' ' 25' ' ' LEU . 53.9 tp -83.01 126.63 32.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 171.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.86 138.08 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -93.51 126.05 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.266 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.49 132.49 62.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 72.7 p -87.48 166.08 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -50.65 -45.28 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.6 t -57.07 -51.59 68.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.24 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -68.54 -29.93 68.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.25 77.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.21 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.9 mtm -78.63 -30.22 46.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.266 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 73.3 m -82.65 -37.13 25.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -110.32 -52.81 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -171.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.88 -19.05 60.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.464 ' HE2' ' SG ' ' A' ' 76' ' ' CYS . 74.1 mmtt 64.83 34.17 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.0 tt -159.58 127.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.9 t -63.76 144.96 56.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.32 -17.57 60.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 87.3 p -74.41 -8.9 57.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.08 -9.86 32.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.7 pt -126.42 -17.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.4 p -147.46 -179.99 7.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.225 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.8 p -100.57 9.56 42.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 172.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.52 154.51 25.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.174 -174.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -97.7 9.95 41.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.0 tt -156.51 129.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.18 153.63 78.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.76 140.0 37.96 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.703 1.602 . . . . 0.0 111.191 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 89.2 t -132.52 140.2 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 91.8 mt -89.64 112.13 23.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -93.39 100.61 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.9 t -101.76 124.02 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.211 -169.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -99.96 -20.01 16.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -136.31 142.3 43.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -148.68 151.42 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.257 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.406 ' OG1' ' NE2' ' A' ' 107' ' ' HIS . 13.4 t -159.33 -179.7 8.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.202 174.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 97.2 mt -103.68 136.66 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 119' ' ' LEU . 68.5 t80 -91.0 -67.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.204 176.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -158.46 160.38 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.6 mt -77.47 79.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -174.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.432 ' HB3' ' HG ' ' A' ' 119' ' ' LEU . 68.0 t0 -117.38 107.25 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.259 169.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -60.0 139.98 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -171.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 91.3 t -112.24 140.13 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.541 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.611 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.764 0.316 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 35.5 m -74.87 5.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.237 -172.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -56.37 -24.61 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -67.87 -16.8 64.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -109.99 11.67 23.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--O 1.201 -1.47 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -178.695 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.757 0.313 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -106.99 154.05 40.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.62 142.1 90.82 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.696 1.597 . . . . 0.0 111.246 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -141.04 -20.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 176.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.85 -40.67 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -53.65 -59.83 4.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.256 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.57 94.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.41 -51.21 63.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.278 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.5 mm -83.26 -35.45 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -174.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.38 -40.06 77.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.9 -11.2 59.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 -178.719 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 96.9 m-70 -80.05 142.9 34.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.174 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.51 -15.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.203 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.9 mt -113.74 127.58 26.67 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -53.05 145.34 42.45 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.736 1.624 . . . . 0.0 111.237 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.4 p -76.45 159.93 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.9 mt -117.34 158.21 24.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 177.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.6 p -110.36 175.99 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 176.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.25 -40.83 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.41 -38.19 90.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -69.41 -38.0 77.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.2 -39.54 86.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.99 -43.33 71.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.65 70.47 79.27 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -175.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.33 -25.64 30.38 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.669 1.579 . . . . 0.0 111.204 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -80.06 -4.92 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.6 mmm -110.23 13.04 23.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -113.92 109.16 50.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -55.16 -32.39 79.91 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.664 1.576 . . . . 0.0 111.253 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.4 p -66.37 -20.05 65.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.266 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -97.6 -40.11 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.73 -39.71 94.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.252 -173.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.0 p -114.95 37.26 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -172.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -143.7 109.89 5.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.257 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -55.2 -30.2 70.28 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.738 1.625 . . . . 0.0 111.19 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.02 -15.71 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.189 -175.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -99.84 26.82 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.208 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -136.45 129.12 30.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.201 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.98 159.17 44.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.176 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -115.45 129.99 56.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.7 mt -79.74 134.06 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.4 p -107.74 -42.57 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.179 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -176.17 145.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 82' ' ' ALA . 88.1 m-85 -99.67 146.99 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.197 172.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.96 -47.23 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -132.3 100.56 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.251 -174.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.1 t -104.44 112.29 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -177.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 76.6 m -129.69 159.91 34.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.223 175.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -53.13 105.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 60.3 38.87 19.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 88.4 tttt -165.95 86.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.224 176.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.9 t -119.94 137.53 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -170.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.62 131.92 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 72' ' ' PHE . . . -145.46 -177.33 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.185 -174.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.2 t -121.85 142.16 50.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 175.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.4 pt -137.83 166.68 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -148.51 159.76 43.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.141 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -103.77 -141.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.2 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.7 m -91.81 9.62 31.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.6 t -143.45 -68.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -111.98 166.83 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 -166.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -124.2 138.87 54.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.6 pt -137.68 178.88 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.2 mt -106.06 157.08 17.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 172.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.53 139.86 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -106.36 135.83 47.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.147 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.25 111.14 23.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.3 p -72.28 165.98 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -55.92 -40.92 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.24 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.24 -43.14 98.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.276 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.5 t -58.08 -55.42 35.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.31 -41.19 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -62.4 -51.25 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.47 -44.86 93.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.02 -41.38 71.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 174.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.09 -41.1 86.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -177.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.82 -41.16 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.2 m -74.16 -47.96 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.272 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -104.01 -4.47 23.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -168.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.01 42.28 31.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.191 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.13 172.37 14.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -80.04 152.94 29.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.2 tp -60.5 -19.98 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.2 p -97.54 -16.35 20.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.6 t -57.79 97.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -168.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 53.56 42.39 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.422 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 81.4 p -109.6 -6.28 15.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.257 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.9 m -55.28 -36.1 65.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.247 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -112.08 28.09 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 70.8 m -116.48 170.7 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 166' ' ' ASP . 82.1 mt -99.78 153.67 18.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 58.9 ttp -131.47 139.99 49.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -170.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 95.5 mt -105.95 114.45 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 172.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 95.4 mt -93.08 134.79 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.19 148.55 19.97 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.0 t0 51.29 70.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.151 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.24 113.46 25.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.492 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 11.1 t0 -82.14 123.56 29.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 60.4 tp -88.37 121.73 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.6 m -139.65 143.4 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -91.53 131.57 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.222 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.86 159.99 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.4 p -90.09 164.64 14.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.17 -173.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -49.96 -41.7 47.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.4 t -55.78 -50.16 71.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.0 mmt180 -61.14 -38.08 85.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.29 79.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 99.0 mtp -82.31 -33.18 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.4 t -70.21 -48.97 54.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.231 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -108.86 -46.81 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -80.52 -19.46 45.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 64.12 39.92 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 141' ' ' ILE . 16.7 tt -148.65 120.06 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.5 t -66.53 134.67 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.44 -20.0 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 87.7 p -58.86 -24.17 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.188 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.04 20.73 17.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.577 ' O ' HG12 ' A' ' 146' ' ' ILE . 21.3 tt -169.35 30.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -177.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.7 p -160.94 169.58 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.262 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 88.1 p -110.22 -10.1 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 169.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -132.56 159.98 37.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -83.36 -2.4 55.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.3 -174.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.47 124.77 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -133.58 149.85 73.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 -171.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.47 141.73 16.0 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 121.729 1.619 . . . . 0.0 111.18 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.32 160.02 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.265 172.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.9 mt -109.8 122.6 47.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.261 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -91.88 103.62 16.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 171.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.4 t -94.75 131.8 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -169.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -105.39 -24.11 12.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -126.96 135.39 50.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -157.6 139.0 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 81.0 p -124.92 155.43 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 162.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 82.8 mt -135.06 130.01 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -134.71 152.59 51.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -96.66 40.14 1.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.204 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 98.0 mt -58.1 -42.21 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.425 ' HB3' HD11 ' A' ' 119' ' ' LEU . 67.3 t0 -134.91 117.11 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.19 129.92 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -176.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 85.7 t -91.33 139.88 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.474 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.863 0.363 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.98 -13.28 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -72.28 -13.45 61.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -80.72 -27.29 36.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -117.68 43.46 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 -167.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -177.551 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.773 0.321 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -119.4 159.41 45.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.72 121.71 9.67 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.756 1.637 . . . . 0.0 111.125 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -140.24 -24.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.6 mt -65.52 -40.71 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -63.09 -54.44 37.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.34 79.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -53.75 -56.68 15.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -83.1 -27.52 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 -175.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.36 -39.99 77.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 174.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -88.16 -11.51 46.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 178.531 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.48 145.17 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.327 . . . . 0.0 111.231 -172.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -94.98 -49.88 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.8 pt -127.79 156.1 76.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.49 155.04 22.27 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.753 1.635 . . . . 0.0 111.183 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.4 t -76.4 127.88 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.6 mt -87.77 156.6 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.6 p -108.07 177.61 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.23 -35.31 73.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.176 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -67.22 -37.88 84.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -69.12 -39.35 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.05 -32.73 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.37 -41.12 66.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 175.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.9 mt -133.94 70.64 74.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 -175.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.7 -25.08 34.3 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.69 1.593 . . . . 0.0 111.242 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -80.03 -4.23 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.238 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.5 mmm -110.07 14.92 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.6 t -122.74 102.65 38.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -55.33 -32.27 80.54 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.709 1.606 . . . . 0.0 111.189 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.8 p -63.41 -23.7 67.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.226 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 121' ' ' ILE . 89.2 mt -91.03 -46.21 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.191 172.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.06 -38.12 81.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.291 -171.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.6 p -101.84 25.52 8.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.25 -170.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 58.0 t-20 -146.35 106.5 4.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -56.26 -24.8 52.82 Favored 'Trans proline' 0 C--N 1.327 -0.553 0 C-N-CA 121.769 1.646 . . . . 0.0 111.174 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.417 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 71.9 m -71.9 -8.53 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -172.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -96.7 2.95 52.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.78 139.91 45.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.58 137.18 31.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -118.74 107.8 14.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 69' ' ' ILE . 1.3 mp -78.25 122.33 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -174.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -92.83 -22.44 19.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -171.43 139.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -93.02 134.61 34.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 164.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -111.76 -41.83 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -173.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' HB3' ' HB2' ' A' ' 81' ' ' TYR . 43.6 t30 -140.68 100.52 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.19 -177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.2 t -108.56 115.69 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . 86.7 m -130.04 -175.61 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -57.76 95.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' A' ' 97' ' ' GLN . 18.1 m-30 60.25 30.13 19.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 76' ' ' CYS . 93.6 mttt -140.04 90.08 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -108.41 129.03 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.415 ' HB2' ' HB3' ' A' ' 74' ' ' ASN . 81.8 m-85 -119.77 121.32 38.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 175.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.48 -171.67 3.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -174.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.2 p -134.64 147.13 50.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 171.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.4 pt -127.25 146.46 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.237 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 -133.59 120.05 20.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -83.24 -149.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.211 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.5 m -88.11 9.99 20.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -137.1 -70.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -120.88 153.85 36.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 -165.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -103.7 145.02 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.5 tt -141.23 145.48 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.421 ' HB2' HG22 ' A' ' 154' ' ' VAL . 95.5 mt -70.36 146.42 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.57 138.42 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -177.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -120.05 130.52 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -104.57 125.44 50.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 64.7 p -72.24 168.37 18.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -171.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.444 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 66.9 tt0 -56.99 -46.41 82.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 174.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.06 -40.03 95.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.8 t -55.35 -58.28 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.18 -36.6 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 t -58.86 -50.05 75.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.12 -46.72 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -51.76 -45.5 63.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.81 -47.03 82.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.26 -37.06 85.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.5 m -70.09 -50.03 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 96.8 m-70 -102.17 -8.69 21.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.222 -168.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 49.89 47.0 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 24.9 p -159.72 176.88 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.01 162.69 16.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.5 tp -64.04 -19.96 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 63.3 p -97.62 -16.75 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.4 m -56.1 95.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -169.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' A' ' 118' ' ' CYS . 96.7 mt-10 51.76 40.72 28.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 80.7 p -102.0 -5.98 23.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 91.5 m -56.1 -39.78 72.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -109.03 26.32 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 114' ' ' GLU . 72.3 m -116.43 169.93 8.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.22 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.412 ' HB3' ' HB ' ' A' ' 165' ' ' ILE . 55.1 tp -113.94 124.92 53.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.182 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.46 ' SD ' HD11 ' A' ' 69' ' ' ILE . 55.5 ttm -85.57 141.39 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 59' ' ' ILE . 43.8 mm -109.78 124.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.221 166.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.4 pt -113.4 152.8 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -172.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.61 162.49 30.76 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 45.1 t0 48.85 71.14 0.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 111.252 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.32 134.59 52.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -105.67 135.17 47.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.8 120.83 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.425 HG23 ' HB ' ' A' ' 154' ' ' VAL . 27.9 m -138.32 -162.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.242 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -154.01 164.97 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.4 p -136.63 140.06 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.7 p -85.33 170.02 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.289 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -52.48 -59.65 4.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 m -63.73 -42.67 97.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.201 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 61.8 ttt85 -62.87 -43.27 99.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.52 69.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 97.3 mtp -72.28 -26.34 61.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.8 p -96.67 -20.04 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -109.53 -53.76 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.22 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 73.8 m-85 -89.21 -18.73 26.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 86.8 mttt 69.39 31.35 3.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 -172.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 89.2 mt -131.06 121.41 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 44.2 t -75.66 133.22 40.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 166.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 85.6 mt -101.83 -37.89 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -169.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 90.4 p -74.13 -10.41 59.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -109.56 5.05 22.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.3 pt -127.49 -20.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.218 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.4 p -134.54 179.99 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 67.0 m -85.84 -4.56 59.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -118.49 134.16 55.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -75.4 -11.81 60.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 174.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 97.4 mt -124.02 137.4 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.1 t -128.51 133.27 24.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -65.27 145.52 83.99 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.583 1.522 . . . . 0.0 111.268 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.425 ' HB ' HG23 ' A' ' 128' ' ' VAL . 79.1 t -130.39 143.35 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 -176.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 87.4 mt -96.71 117.5 31.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -92.11 98.47 11.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 88.0 t -94.69 123.76 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.24 -170.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -99.95 -20.04 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -130.02 136.11 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 174.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -152.51 145.87 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 161' ' ' THR . 15.2 t -156.7 128.67 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.233 176.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 91.4 mt -109.75 129.57 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -169.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.33 149.96 52.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -75.13 74.98 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.197 -178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 87.8 mt -102.92 -50.37 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 -178.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -138.87 119.01 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -173.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -59.69 140.91 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 67.3 t -92.18 140.89 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.544 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.806 0.336 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.85 -23.19 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -59.04 -23.32 61.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.29 -19.4 54.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.125 -172.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -127.09 65.08 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -174.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.84 0.352 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -67.81 157.18 87.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -63.94 143.18 84.65 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.727 1.618 . . . . 0.0 111.233 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -141.04 -23.93 0.75 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.223 -176.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.12 -55.87 18.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.98 -39.93 72.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.13 75.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.63 -30.34 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.46 -49.93 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -61.21 -40.21 93.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.225 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.26 -25.7 67.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.225 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.219 -177.833 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 84.2 m-70 -69.66 138.7 53.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 111.194 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.44 -19.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 -177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.417 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 83.8 mt -120.03 115.23 33.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 171.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -55.51 155.41 21.17 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.698 1.599 . . . . 0.0 111.165 -176.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.8 p -76.33 159.14 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt -109.87 149.46 29.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 p -80.81 173.99 12.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -55.73 -44.7 77.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.81 -41.9 86.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.72 -40.88 98.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.35 -33.18 71.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.52 -45.83 91.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.217 176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.7 mt -139.38 75.69 32.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.232 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -59.14 -35.53 97.62 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.716 1.611 . . . . 0.0 111.219 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -81.66 -0.17 41.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 96.4 mmm -114.77 8.54 16.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -106.74 112.55 63.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -55.12 -36.19 92.43 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.714 1.61 . . . . 0.0 111.265 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.5 p -65.21 -22.84 66.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.3 mt -90.47 -43.88 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.238 173.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.51 -30.29 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.21 -172.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 73.5 p -98.28 15.69 23.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -140.16 111.21 7.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.18 -15.4 31.87 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.693 1.595 . . . . 0.0 111.222 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.2 m -65.3 -23.13 66.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -88.04 -1.85 58.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -109.58 156.01 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.32 156.81 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -127.81 103.51 7.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.8 mt -71.83 128.66 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.21 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.1 p -106.01 -27.24 11.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -175.27 140.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.241 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -102.76 159.97 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -106.82 -55.59 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.23 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -179.61 -171.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -171.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.96 156.88 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . 41.9 t -162.71 137.49 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.237 176.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 55.33 37.31 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 65.51 22.89 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -117.04 155.0 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.6 t -108.91 133.99 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 76' ' ' CYS . 92.5 m-85 -120.97 120.43 35.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.14 -175.86 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.239 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 m -122.29 140.19 52.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.202 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.6 pt -125.0 170.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 176.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.443 ' HB3' ' HG3' ' A' ' 90' ' ' GLN . 37.9 ptt180 -153.14 170.63 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 172.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -132.79 -149.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.8 m -57.84 -28.75 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -98.91 -109.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -110.88 -174.44 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 -167.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.443 ' HG3' ' HB3' ' A' ' 85' ' ' ARG . 26.4 mp0 -94.9 165.75 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -173.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.1 tt -160.0 144.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.49 ' HB2' HG22 ' A' ' 154' ' ' VAL . 90.0 mt -66.8 145.58 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.3 p -135.96 148.45 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.19 139.84 39.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.232 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -111.08 126.35 54.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.493 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 59.5 p -63.89 161.91 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -173.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -56.26 -41.07 75.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.09 -39.9 90.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 96' ' ' SER . 39.5 t -58.19 -46.82 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.52 -49.67 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.4 m -56.39 -50.28 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.177 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.62 -49.23 71.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -52.44 -45.71 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.95 -40.36 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.71 -39.04 92.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.5 m -73.34 -50.05 24.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -104.62 -4.49 22.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -168.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.83 41.09 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.0 p -159.32 166.88 30.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -88.66 159.51 17.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 111' ' ' ILE . 97.4 mt -78.48 -5.77 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 81.3 p -100.93 -6.28 24.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 174.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.4 t -101.27 108.35 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -174.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 59.74 43.66 15.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 173.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.5 p -113.34 -12.31 13.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.0 p -81.54 -10.91 59.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -170.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -124.21 20.02 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 77.4 m -126.81 165.11 19.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 60.3 tp -95.26 120.86 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 92.1 mmm -90.86 149.1 22.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.199 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 77.1 mt -126.63 111.44 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.242 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.0 pt -114.04 160.02 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 -170.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -155.37 165.06 32.26 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.1 t0 53.18 54.78 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.163 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.417 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . . . -115.83 138.05 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 11.0 t0 -114.49 134.39 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -176.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.6 tp -86.15 122.5 30.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 32.9 m -130.19 173.01 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -120.81 132.79 55.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 93.1 t -118.53 136.04 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.0 p -81.95 168.55 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.27 -40.41 86.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 99.8 p -70.08 -39.65 75.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.268 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.59 -29.85 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.222 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.83 -16.85 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 99.2 mtp -88.91 -25.64 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 92.8 p -92.02 -19.91 21.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.2 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -102.56 -65.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -89.57 -18.27 26.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 87.5 mttt 64.98 36.91 7.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.6 tt -151.46 128.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.4 t -59.96 143.24 52.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.247 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.57 -3.69 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.8 p -66.34 -19.78 65.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 170.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -103.69 9.74 37.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.277 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.4 mm -119.62 -40.65 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.8 p -143.98 -177.66 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.223 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.2 p -88.3 -0.35 57.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.72 -179.97 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -98.12 32.25 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.159 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 151' ' ' ILE . 16.2 tt -145.8 121.38 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.96 130.2 18.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.65 144.39 44.27 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.748 1.632 . . . . 0.0 111.21 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' A' ' 92' ' ' LEU . 62.7 t -133.47 141.01 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 155' ' ' LEU . 4.2 mm? -89.95 112.52 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -92.43 99.55 12.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 99.4 t -92.19 140.19 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -171.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -114.71 -31.34 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -120.68 136.93 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 172.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -150.39 135.25 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 64.7 p -131.22 169.11 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 166.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.16 134.52 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -139.35 145.27 38.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -82.01 67.77 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 94.8 mt -100.25 -48.3 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.272 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -134.4 111.36 10.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.44 130.28 46.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.64 139.16 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.206 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.466 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.352 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.817 0.341 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.77 -21.69 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -65.0 -17.09 64.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.51 -16.7 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -96.63 -2.94 43.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.203 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.214 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.837 0.351 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.84 156.81 72.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.61 130.17 32.5 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.698 1.599 . . . . 0.0 111.213 178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 64' ' ' CYS . 8.8 t90 -142.58 -35.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.03 -42.49 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.92 -43.68 94.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.72 95.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.15 -37.02 85.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.234 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.77 -48.14 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.241 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.25 -39.47 79.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.51 -22.63 67.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.243 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -178.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.548 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -64.09 125.67 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 0.0 111.187 -175.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -110.13 -58.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.6 mt -107.54 129.4 24.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.229 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -53.51 149.24 31.5 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.7 1.6 . . . . 0.0 111.165 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -76.57 139.58 40.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.5 mt -102.28 148.74 25.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.268 173.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.8 p -88.73 173.97 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.26 -42.15 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.235 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.87 -41.01 88.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -68.36 -42.93 78.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.6 -39.92 73.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.06 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.9 mt -130.91 71.44 82.4 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.34 -28.36 33.22 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -76.47 -7.72 55.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.242 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.4 mmm -104.79 16.21 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -133.78 82.58 49.75 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.206 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 88.7 Cg_exo -53.86 -31.22 61.5 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.776 1.651 . . . . 0.0 111.184 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.3 m -51.27 -40.46 58.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 pt -101.48 -18.45 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.257 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 86.2 mt -66.13 -23.71 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 173.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.5 p -96.82 6.35 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.614 ' HB3' ' SG ' ' A' ' 64' ' ' CYS . 96.8 m-20 -115.09 105.56 52.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 41.6 Cg_endo -69.2 -14.14 37.34 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.753 1.636 . . . . 0.0 111.152 -175.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.614 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 32.0 p -66.4 -16.87 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -102.65 5.21 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -109.96 132.39 54.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.68 142.65 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -110.29 120.14 41.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.1 mt -83.94 129.97 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -109.71 -34.31 6.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.215 -171.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -169.96 143.2 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 96.7 m-85 -100.11 147.34 25.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 168.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -105.44 -57.63 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -170.99 164.82 7.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -174.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.5 t -122.86 92.85 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.4 m -103.66 145.09 30.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 56.75 35.42 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 61.66 23.63 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.95 141.43 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 92.5 t -92.88 133.27 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.244 -175.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -119.85 121.54 39.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.232 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . . . -144.97 -174.57 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 -172.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.4 t -128.4 138.68 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.236 173.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.9 pt -129.53 168.73 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -145.19 160.01 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -110.16 -142.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.212 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.3 m -87.71 5.59 39.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -174.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t -146.67 -63.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.204 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -108.91 167.24 10.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -165.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -125.64 144.66 50.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.268 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.1 tt -149.69 150.14 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -175.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.6 152.49 42.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 p -138.3 141.22 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -111.28 153.35 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 171.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.436 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 88.8 m-85 -123.15 118.18 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.226 171.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 72.5 p -66.07 164.05 16.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.284 -176.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -58.61 -37.51 76.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.249 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.16 -42.0 94.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.8 t -59.67 -45.43 92.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.33 -52.75 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.232 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.5 m -57.64 -49.93 74.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.214 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.77 -46.18 90.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -56.71 -42.83 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.85 -40.7 91.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.232 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.31 -39.68 95.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.3 m -73.03 -49.33 29.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -104.05 -4.72 22.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -167.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.24 37.12 28.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 30.9 p -163.09 168.26 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.93 157.16 26.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.55 -27.66 43.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.4 p -85.16 -14.0 48.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 t -86.41 113.32 22.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -170.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.05 46.22 11.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 173.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.533 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 42.1 p -137.8 0.21 2.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.255 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.8 m -57.94 -29.87 65.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -125.69 22.07 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 90.3 m -102.43 173.61 6.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -175.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.1 tp -102.41 121.6 42.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 48.4 ttp -89.95 129.98 36.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.4 mm -101.33 107.74 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 168.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.62 139.96 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -164.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -115.9 -124.45 3.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -49.99 117.04 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 111.203 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.46 144.49 27.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.21 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -118.12 164.36 15.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 53.0 tp -93.89 126.73 39.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.13 124.95 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -84.34 137.47 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.262 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 20.9 m -123.98 151.2 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 50.2 p -86.86 167.52 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -51.13 -43.5 61.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.3 t -59.16 -49.61 77.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.89 -34.46 77.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.91 -39.34 79.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 79.0 mtm -74.12 -28.29 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.0 t -75.23 -59.88 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -89.9 -43.4 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -91.99 -20.26 21.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.224 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 65.63 31.78 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 31.7 mm -129.97 118.9 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 t -67.48 134.36 51.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.233 174.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 78.1 mt -79.89 -23.64 41.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.275 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.6 p -63.81 -19.81 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.264 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -97.36 -9.58 27.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.255 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.4 pt -129.97 -5.39 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 33.4 t -152.95 154.66 35.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 96.6 p -86.42 -4.05 59.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.92 157.11 27.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.249 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -96.1 16.24 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.85 127.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.5 m -134.21 152.88 79.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 -171.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.86 139.9 22.61 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.697 1.598 . . . . 0.0 111.201 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 96.0 t -132.44 139.85 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.187 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 49.7 tp -87.27 111.64 21.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -96.19 116.11 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.5 t -91.03 130.0 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.251 -172.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -101.45 -42.37 6.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -132.09 131.87 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -170.53 150.23 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 46.7 p -128.72 159.91 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.204 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 74.5 mt -127.47 130.99 70.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -174.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -130.13 150.45 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -80.85 68.02 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 95.6 mt -101.8 -51.97 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.294 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -123.73 117.94 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -64.52 129.83 41.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 55.6 t -109.3 143.68 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.254 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -178.282 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.805 0.336 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.46 -31.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.231 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 178' ' ' TYR . 4.5 m-30 -80.74 -16.96 52.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.226 -178.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.33 -36.82 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -176.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -110.44 23.18 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 -179.437 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.872 0.368 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -99.09 159.22 30.73 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -55.48 149.32 48.16 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.738 1.625 . . . . 0.0 111.148 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -129.26 -40.37 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.22 -43.41 88.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.55 -35.7 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.35 -17.92 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.58 -18.44 62.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -51.01 -39.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.97 -33.9 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -97.01 -21.25 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 -178.139 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -72.7 139.42 47.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.0 m -127.75 -15.92 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.251 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 86.4 mt -123.97 119.04 26.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.278 172.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.94 157.1 13.78 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.797 1.665 . . . . 0.0 111.225 -177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -74.06 133.99 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.215 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -108.18 162.56 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.214 172.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.8 p -118.7 170.79 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -50.26 -39.9 46.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.33 -27.14 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.219 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -82.95 -41.71 18.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 159' ' ' GLN . 94.8 mt -68.98 -33.15 73.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.91 98.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 mt -136.82 75.94 48.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -58.45 -35.27 98.88 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.625 1.55 . . . . 0.0 111.234 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -75.92 -9.51 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.4 mmm -99.87 2.6 43.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.433 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 26.6 t -113.06 107.61 54.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.248 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 56' ' ' SER . 60.1 Cg_endo -65.83 -26.83 51.98 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.65 1.567 . . . . 0.0 111.242 175.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 m -59.38 -42.02 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.9 mt -74.65 -47.75 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.6 -38.95 93.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -169.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 p -92.12 3.97 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -171.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -126.38 109.02 23.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.82 -23.0 31.89 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.801 1.667 . . . . 0.0 111.134 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.5 m -48.31 -36.29 13.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.193 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -99.48 15.54 26.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -114.23 132.87 55.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.245 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.8 139.9 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -112.11 113.74 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.286 174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.13 134.48 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.6 p -113.32 -36.91 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -169.93 149.61 3.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 96.3 m-85 -108.86 150.06 28.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 169.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -104.41 -59.09 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -169.97 178.84 3.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.95 112.14 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.206 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.77 144.17 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 55.9 34.95 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.176 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 63.7 24.35 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -125.16 140.37 52.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.5 t -95.66 130.81 43.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.241 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -114.64 117.01 29.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . . . -144.78 179.55 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.212 -170.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.8 m -128.43 146.88 50.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 172.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.5 pt -131.27 169.67 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.504 ' HD2' ' O ' ' A' ' 88' ' ' SER . 61.7 ttp85 -139.97 164.86 28.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 173.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -119.09 -138.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.225 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -63.98 -26.95 68.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.504 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 49.9 p -137.03 -89.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 -173.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -81.5 162.05 23.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -162.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -101.13 163.5 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.8 tt -153.78 148.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.8 mt -83.2 146.31 28.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -130.07 136.62 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -121.31 124.55 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.225 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -93.88 124.37 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.207 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.6 p -66.7 160.01 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -174.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -56.16 -39.93 73.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.47 -44.61 93.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 96' ' ' SER . 49.0 t -55.11 -50.98 67.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.51 -50.38 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -56.32 -49.88 73.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.2 -47.09 78.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -52.69 -44.11 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.276 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.74 -24.95 66.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.79 -38.8 22.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.23 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 79.0 p -85.09 -24.41 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -174.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.492 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 54.8 m80 -109.96 -10.78 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.215 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 56.88 32.19 21.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 29.9 p -163.44 166.15 23.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.27 156.15 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.39 -25.57 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.4 p -83.31 -16.43 46.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.5 t -92.69 114.17 26.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -170.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 61.38 50.19 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.233 171.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 68.9 p -130.5 -9.81 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.9 m -57.69 -41.85 82.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.278 -171.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -106.81 24.71 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.6 m -115.26 165.01 13.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.22 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.9 tp -91.93 133.59 35.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 52.3 ttp -110.68 132.47 54.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -176.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.7 119.96 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 91.0 mt -103.14 142.96 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.252 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.11 156.76 26.2 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 46.4 t0 44.79 73.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 111.235 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . . . -134.8 139.22 44.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -131.25 153.57 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.8 mt -88.57 135.32 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.12 139.44 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.247 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -82.22 121.54 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -169.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.1 139.88 40.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.2 p -83.97 162.96 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -174.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -51.89 -47.06 64.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.1 t -57.61 -48.76 78.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.87 -30.11 70.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.41 -37.13 77.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.6 mtp -69.85 -39.28 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.3 t -72.59 -51.32 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -98.98 -49.57 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -167.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -77.73 -16.73 58.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 65.41 33.16 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.223 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 141' ' ' ILE . 19.5 tt -159.25 125.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.0 t -64.55 145.97 55.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.8 mt -75.71 -6.14 49.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.234 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 95.0 p -66.68 -19.28 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 171.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.45 10.73 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 176.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.9 mm -119.86 -49.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 77.1 p -152.33 -169.87 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.0 p -91.35 -0.85 57.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -100.36 160.03 14.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -109.99 -2.06 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.9 mt -138.5 121.27 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.218 171.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.1 m -135.84 143.38 44.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 -171.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.06 121.39 5.34 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.759 1.639 . . . . 0.0 111.218 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.3 157.58 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 42.1 tp -89.43 111.52 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -91.58 109.98 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 94.0 t -104.24 131.13 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -169.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -99.94 -40.11 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 173.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLN . . . . . 0.465 ' HB3' HD11 ' A' ' 50' ' ' LEU . 13.1 mm100 -114.25 137.12 52.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -159.49 148.8 18.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.0 t -147.44 157.31 43.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.9 mm -125.91 130.14 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -131.04 139.85 50.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -94.68 15.62 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.23 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.43 -45.3 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -114.54 111.59 21.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.18 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -71.29 150.05 45.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -121.72 163.03 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.482 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -178.56 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.15 -15.96 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -65.14 -22.1 66.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.16 -5.14 29.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -110.02 11.08 24.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.142 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--O 1.201 -1.479 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 177.512 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.793 0.33 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -64.72 155.02 83.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 173.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.44 152.42 82.0 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.694 1.596 . . . . 0.0 111.23 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -142.4 -17.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.2 -39.83 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.92 -39.89 82.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.98 93.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.79 -43.54 97.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.27 -46.82 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.227 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -46.36 89.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.16 -39.22 89.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -178.69 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -63.02 134.25 55.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -120.9 -13.2 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.26 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.6 mt -117.37 130.27 24.77 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 173.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -53.18 147.08 36.49 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.697 1.598 . . . . 0.0 111.197 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.0 t -65.36 130.51 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 -176.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' HA3' ' A' ' 123' ' ' GLY . 10.4 tp -73.32 136.73 44.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 175.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.4 p -93.97 170.71 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.33 -37.9 88.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.46 -38.07 88.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -65.02 -44.42 89.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.6 tp -55.11 -49.87 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.94 -49.34 68.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.7 mt -136.9 79.46 38.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.24 -173.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.44 -28.91 31.94 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.663 1.575 . . . . 0.0 111.282 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -82.01 -3.6 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.267 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.4 mmm -110.5 16.88 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.222 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -133.4 124.51 18.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -53.07 -30.11 48.13 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.247 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.4 m -52.32 -33.99 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.221 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.7 mp -95.24 -46.7 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.81 -36.2 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.214 -167.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.0 p -105.67 12.41 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -126.81 106.48 22.77 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.35 -28.16 61.56 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.763 1.642 . . . . 0.0 111.154 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.61 -15.23 60.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -176.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -99.99 17.46 20.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -127.44 108.43 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.198 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.34 147.97 49.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.55 118.38 33.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.19 126.18 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.7 p -96.13 -29.14 14.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 -174.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -170.33 140.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.172 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -95.74 145.39 25.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -102.67 -55.02 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -174.9 164.02 3.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.22 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.26 117.22 50.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.245 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.92 138.61 50.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.176 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 55.04 35.87 25.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.206 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 63.09 28.07 15.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -122.53 122.88 39.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.0 t -83.34 134.09 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -120.71 121.74 38.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.72 -174.71 4.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.258 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.1 t -128.31 141.0 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.5 pt -131.88 156.3 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -139.65 160.21 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -112.23 -140.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.2 m -101.19 16.58 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.1 t -138.67 -65.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -128.07 174.44 9.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -172.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -130.3 139.51 50.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.224 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.1 pt -134.05 174.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.174 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.448 ' HB2' HG22 ' A' ' 154' ' ' VAL . 97.8 mt -90.08 156.54 18.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.203 169.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.5 p -139.85 145.39 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -135.35 143.67 46.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.418 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 88.8 m-85 -115.94 132.63 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -174.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 60.2 p -71.05 164.89 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.237 -176.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.89 -40.07 87.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.233 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.28 -42.96 99.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.9 t -56.24 -53.99 50.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.04 -42.48 95.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.255 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -50.48 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.213 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -63.39 -45.71 89.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.189 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.38 -52.16 64.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.173 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.62 -40.03 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.263 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -57.3 -46.72 82.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 83.4 m -75.26 -47.66 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 -175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -92.99 -10.03 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 -169.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 52.98 43.55 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.5 p -157.1 169.82 23.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -86.73 167.51 14.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.8 tp -66.01 -19.94 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 57.9 p -97.62 -9.62 26.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.7 t -96.29 123.21 39.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.236 -173.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 59.92 37.76 21.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.7 p -123.1 -18.21 6.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.192 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -61.46 -41.09 96.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.6 p-10 -98.33 20.87 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.94 169.83 14.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.26 140.91 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 172.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 56.8 tpp -89.14 130.17 35.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.83 113.19 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.2 mt -101.75 134.1 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.43 ' HA3' ' HB2' ' A' ' 45' ' ' LEU . . . -145.49 164.49 28.06 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.2 t0 49.69 62.46 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 111.097 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.92 145.09 45.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 -169.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.3 150.08 48.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 59.9 tp -104.29 120.61 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.1 m -132.69 -174.85 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -127.28 143.17 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.05 156.74 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -95.11 176.26 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -51.49 -52.37 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.216 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.6 p -66.71 -35.97 81.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -176.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -65.67 -34.24 77.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.3 -35.95 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.3 mtp -64.91 -32.0 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 41.6 t -77.55 -58.05 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -84.89 -53.4 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -171.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -81.71 -15.24 55.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 65.41 32.8 9.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.4 tt -156.24 129.04 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.1 p -69.79 159.63 33.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 82.5 mt -103.69 -38.0 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 70.4 p -65.51 -19.32 65.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -101.98 -8.23 21.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.3 mm -120.01 -59.69 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -175.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 148' ' ' SER . 89.9 p -84.45 -19.94 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 147' ' ' SER . 19.6 m 67.78 17.23 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -174.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -123.27 152.96 40.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -79.23 -44.43 21.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 42.4 mm -109.75 128.44 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.22 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 76.3 t -132.48 133.62 23.83 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -61.85 140.19 84.06 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.734 1.623 . . . . 0.0 111.203 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 92' ' ' LEU . 78.7 t -133.29 131.45 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.202 175.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 53.5 tp -93.32 114.42 26.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -91.53 120.01 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.198 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 80.6 t -115.86 118.84 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 -168.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -94.92 -23.17 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -135.27 139.95 44.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.203 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.09 152.76 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.0 t -148.78 -178.16 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.262 172.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 6.3 tp -143.11 140.7 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -169.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -153.58 140.15 18.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.257 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -72.51 110.45 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.206 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 91.3 mt -130.16 -49.52 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -151.15 121.68 7.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.26 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 65.8 tt0 -57.65 133.14 55.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 99.5 t -102.53 130.14 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.526 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.949 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 88.0 t -80.01 -44.83 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 172.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -65.88 -19.92 66.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.76 -32.92 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -119.4 26.77 9.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 52.3 tp . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -176.437 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.2 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -127.71 157.07 74.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -51.06 116.64 2.78 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.701 1.601 . . . . 0.0 111.207 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -133.75 -22.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.64 -38.24 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -55.08 -52.14 64.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 172.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.36 88.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 tp -53.25 -51.72 61.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.245 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.39 -50.27 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.244 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.75 -44.22 85.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -171.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.72 -16.82 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -174.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -178.28 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.585 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -48.54 135.22 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG23 HG13 ' A' ' 42' ' ' ILE . 33.4 m -100.0 -19.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -174.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.418 HG13 HG23 ' A' ' 41' ' ' VAL . 89.5 mt -120.35 117.31 31.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 171.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -54.57 154.88 18.55 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.747 1.632 . . . . 0.0 111.224 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -72.39 161.63 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -121.86 153.55 38.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.1 p -89.72 169.08 11.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.95 -39.93 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -69.61 -39.1 77.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.05 -50.02 74.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.202 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.5 mt -71.71 -30.07 65.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.5 mt -137.42 77.0 41.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.235 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -58.21 -37.77 93.98 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.697 1.598 . . . . 0.0 111.213 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -77.32 -10.12 59.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -174.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.6 mmm -101.09 -0.02 37.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -118.0 109.41 41.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -54.78 -32.16 75.46 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.695 1.597 . . . . 0.0 111.198 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 m -52.48 -33.18 43.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.9 mt -97.34 -49.33 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.2 tp -54.46 -47.17 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.214 -169.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.2 p -100.11 10.09 41.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.22 -168.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -123.65 107.25 31.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.39 -30.07 61.55 Favored 'Trans proline' 0 C--N 1.327 -0.589 0 C-N-CA 121.699 1.6 . . . . 0.0 111.236 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 96.6 m -68.95 -18.43 64.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -170.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -99.89 9.95 42.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -170.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -160.23 165.12 32.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 172.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.73 177.87 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 -173.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -110.94 142.85 42.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.252 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.4 mt -92.29 134.7 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -105.09 -37.35 6.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 179.63 143.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 82' ' ' ALA . 84.0 m-85 -97.54 136.78 37.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 167.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -100.46 -57.35 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -170.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -160.01 159.69 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -170.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.1 t -131.93 127.39 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 29.7 p -158.71 159.67 35.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 55.12 31.05 15.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 66.19 20.5 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -138.81 160.01 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.79 141.85 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -164.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -117.96 123.6 46.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 72' ' ' PHE . . . -147.12 -174.42 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 -175.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 t -131.88 143.9 50.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 174.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.1 pt -130.53 168.41 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.189 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -145.0 160.34 41.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.195 -175.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -130.78 -152.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 170.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.1 m -65.62 -25.63 67.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.246 -174.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.4 p -100.1 -110.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -102.47 -170.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -111.49 179.32 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -170.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 tt -160.08 146.74 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 173.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.21 144.32 53.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.248 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -135.0 137.12 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -118.34 119.84 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -93.69 117.0 29.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 80.8 p -65.23 163.86 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -173.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -55.36 -40.03 70.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.75 -45.76 93.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 96' ' ' SER . 49.5 t -56.79 -47.7 79.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 177.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.26 -49.64 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.248 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.6 m -57.29 -50.32 73.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.05 -48.52 75.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' A' ' 111' ' ' ILE . 37.6 t80 -53.91 -45.58 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.6 -39.97 76.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.11 -36.98 86.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 78.0 m -69.95 -50.04 45.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.7 m-70 -100.75 -6.22 25.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -170.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 54.78 40.42 31.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.237 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 28.4 p -161.48 170.0 20.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.36 144.08 33.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.2 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.412 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 15.7 tt -67.03 -19.9 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.206 -179.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.9 p -86.78 -12.32 48.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 t -92.03 123.14 35.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 54.99 42.2 31.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 172.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.564 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 0.6 OUTLIER -149.94 9.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -179.611 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.8 p -69.83 -14.97 63.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -140.01 40.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 74.4 m -126.67 176.31 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -171.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 65.6 mt -95.39 142.09 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.2 ttp -131.32 141.43 49.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.192 -171.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.425 HG12 ' HB2' ' A' ' 163' ' ' PHE . 43.8 mm -103.26 133.82 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 168.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 37.5 pt -128.59 148.81 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -157.0 164.28 32.7 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.8 t0 48.96 77.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.263 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.25 149.93 40.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -174.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -129.9 172.8 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.6 tp -109.03 132.46 54.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.65 162.3 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -119.51 131.0 55.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.27 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.2 m -122.97 159.51 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 63.5 p -78.64 164.78 24.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 -172.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -50.02 -45.18 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 169.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.9 m -55.62 -47.63 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.86 -39.53 87.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.9 92.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.208 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.4 ttp -73.95 -40.35 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 177.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.3 t -69.04 -44.53 72.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 -174.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.61 -54.3 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.228 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 36.0 m-85 -78.11 -18.83 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 13.8 mmmm 74.57 20.13 2.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.229 176.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 40.5 mm -127.72 109.81 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.7 p -70.08 155.12 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 176.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.2 mt -105.44 -32.24 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -177.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 148' ' ' SER . 95.1 p -65.84 -19.88 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.16 -7.73 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -171.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.9 pt -120.78 -25.25 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -173.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 93.5 p -148.9 -19.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 -174.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 144' ' ' SER . 48.2 m 65.75 40.16 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.236 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -109.24 179.89 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.206 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -109.84 -31.67 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.7 pt -134.8 160.33 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.87 134.93 19.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.281 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.47 140.14 43.02 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.673 1.582 . . . . 0.0 111.214 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 86.7 t -138.97 133.77 41.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 52.6 tp -88.95 117.87 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -97.62 111.96 24.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 98.5 t -109.93 132.49 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -169.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -101.82 -32.93 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -117.19 131.61 56.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -154.92 150.96 27.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.9 t -157.13 162.91 39.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 176.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 95.8 mt -80.05 135.57 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.425 ' HB2' HG12 ' A' ' 121' ' ' ILE . 84.9 t80 -100.1 -53.61 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 176.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -166.11 168.69 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 42.8 pt -103.52 27.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -175.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -59.8 124.68 20.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.13 117.26 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -171.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 92.5 t -98.44 139.55 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.473 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.183 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.434 ' HA ' ' HB3' ' A' ' 179' ' ' LYS . 22.0 m-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.864 0.364 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.7 p -57.2 -20.14 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -110.36 -43.45 3.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.243 171.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 176' ' ' PHE . 62.8 tttp -60.39 -47.27 86.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.271 -171.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -115.99 36.88 3.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.199 -1.562 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 178.394 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.404 ' H ' ' HB3' ' A' ' 63' ' ' PRO . 94.2 mm-40 -110.0 159.16 32.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 172.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.39 118.37 4.79 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.737 1.625 . . . . 0.0 111.122 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -134.03 -17.89 2.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.4 mt -68.72 -32.97 57.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -63.76 -42.94 97.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.236 172.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -29.91 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.192 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD22 HG21 ' A' ' 41' ' ' VAL . 97.0 mt -54.36 -43.5 71.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.573 ' C ' HD12 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -95.12 -20.62 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.21 -175.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.9 -47.98 75.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.248 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.45 -19.83 55.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.237 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.191 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 90.4 m-70 -74.99 140.05 43.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 111.175 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG21 HD22 ' A' ' 25' ' ' LEU . 29.1 m -123.71 -19.08 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.208 -175.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.9 mm -108.96 122.32 40.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 172.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -54.08 150.43 31.61 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.738 1.625 . . . . 0.0 111.228 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 t -76.63 136.78 39.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -106.92 145.74 31.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.5 p -91.43 175.39 6.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.48 -41.44 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -67.13 -40.9 86.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.211 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.95 -42.56 85.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.58 -37.08 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.78 63.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.287 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.0 mt -131.31 69.88 82.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.22 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.26 -24.95 26.8 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.649 1.566 . . . . 0.0 111.194 -177.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -80.07 -6.01 56.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.4 mmm -109.41 8.55 25.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -117.91 106.38 45.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -55.61 -32.35 82.91 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.72 1.613 . . . . 0.0 111.164 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.9 p -67.18 -15.26 63.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.6 mt -99.85 -43.43 11.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 170.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.2 mt -57.77 -38.1 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 -173.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.2 p -103.97 17.41 24.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -129.72 105.13 17.11 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.209 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 88.0 Cg_exo -54.38 -29.88 60.58 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.729 1.619 . . . . 0.0 111.18 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.5 m -57.56 -30.06 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -171.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -88.09 -8.09 56.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.259 -172.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -94.83 132.42 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.92 140.41 25.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 168' ' ' VAL . 87.9 mttt -119.92 111.72 18.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 174.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.8 131.08 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.8 p -106.01 -30.63 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -174.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -170.05 140.68 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.282 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -94.69 147.11 23.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 168.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -117.7 -37.93 3.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.18 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -150.11 92.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.8 t -90.77 117.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 81.5 m -134.64 164.74 26.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -59.95 103.52 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.308 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 70.5 17.96 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.239 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 98.4 mttt -149.34 69.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.2 t -97.62 131.63 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.501 ' HB3' ' CD2' ' A' ' 139' ' ' PHE . 96.6 m-85 -118.16 124.02 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.35 -168.71 3.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -174.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.401 ' HB3' HD23 ' A' ' 92' ' ' LEU . 23.6 p -132.11 146.01 51.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 172.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.14 154.87 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.611 ' NH2' ' O ' ' A' ' 88' ' ' SER . 64.3 ttt-85 -128.48 147.33 50.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -106.29 -146.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 168.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -59.99 -41.97 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.611 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 42.5 t -120.35 -54.54 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -165.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -111.8 165.54 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -165.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.406 ' H ' ' HB3' ' A' ' 176' ' ' PHE . 20.2 tt0 -125.29 145.91 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 177.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 tt -140.23 141.07 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.425 ' HB2' HG22 ' A' ' 154' ' ' VAL . 77.1 mt -60.53 146.26 45.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 173.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.61 143.18 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -118.9 132.68 56.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.186 173.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.69 123.12 44.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 99' ' ' CYS . 59.3 p -70.68 164.16 25.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -46.23 -38.08 8.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.259 169.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.69 -52.23 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 157' ' ' VAL . 57.4 m -51.58 -50.56 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.13 -44.66 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.0 p -61.15 -33.9 74.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -61.37 -46.5 89.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.236 174.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -65.1 -29.86 70.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.168 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.9 -40.79 38.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.04 -58.79 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 93.1 m -72.34 -49.4 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -173.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.522 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 92.4 m-70 -90.01 -14.6 33.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.238 -174.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 48.42 47.16 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 27.6 p -158.46 175.9 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.194 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -79.97 154.53 28.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.236 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.02 -19.96 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.8 p -90.78 -12.54 36.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 t -90.0 140.26 29.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 52.1 53.69 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.3 m -124.93 -45.28 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.271 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.1 m -57.83 -45.95 85.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.197 -173.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -101.26 26.65 6.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.5 m -131.23 165.07 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.275 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.4 tp -113.96 129.91 56.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.209 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 56.2 ttp -92.87 138.58 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.1 mm -116.38 125.86 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 171.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.9 pt -113.09 154.46 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 -171.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.84 155.37 26.17 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 48.5 t0 54.55 71.81 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.28 138.74 53.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 10.1 t0 -110.44 134.74 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.6 tp -89.0 127.41 35.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.36 177.68 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -130.0 139.98 50.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 174.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 24.2 m -125.22 154.68 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.215 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.6 p -92.6 168.8 10.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -49.98 -46.37 52.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.4 t -59.31 -50.05 75.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -59.99 -40.37 88.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.46 98.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.255 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.3 mtm -69.34 -30.05 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.7 p -85.7 -26.39 25.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 68.2 m170 -105.69 -63.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.501 ' CD2' ' HB3' ' A' ' 81' ' ' TYR . 73.2 m-85 -79.91 -19.98 46.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.233 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt 70.03 35.21 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 141' ' ' ILE . 17.6 tt -149.7 124.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 178.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.2 t -65.08 142.52 58.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.56 -20.96 42.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 96.1 p -68.29 -13.78 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -95.08 -11.93 27.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.227 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.9 pt -131.45 6.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.9 t -159.57 152.7 22.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 94.7 p -81.5 -13.07 58.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -111.25 166.63 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.275 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -97.67 9.38 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -176.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -135.88 146.22 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 173.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.34 155.82 67.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.75 147.65 45.18 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.734 1.623 . . . . 0.0 111.177 173.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 92' ' ' LEU . 87.0 t -138.24 137.31 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 37.3 tp -97.74 116.24 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -96.23 100.12 11.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.219 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.463 ' O ' ' SG ' ' A' ' 99' ' ' CYS . 75.7 t -94.1 126.28 46.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -170.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -85.12 -48.68 8.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -114.22 134.98 54.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.53 130.99 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.5 p -130.98 158.96 38.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 171.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 90.3 mt -129.85 127.91 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -131.5 154.12 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.223 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -73.8 72.48 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 92.6 mt -104.5 -42.06 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -158.13 125.6 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -64.76 156.2 31.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 68' ' ' LYS . 84.8 t -78.64 135.08 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.406 ' HB3' ' H ' ' A' ' 90' ' ' GLN . 79.6 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.74 0.305 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.4 -20.14 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 -176.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -57.58 -25.6 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -73.08 -6.33 44.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -96.57 4.65 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.201 -1.493 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 177.479 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.714 0.292 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -70.42 156.1 92.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.242 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.36 142.45 54.72 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.709 1.606 . . . . 0.0 111.165 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -142.39 -22.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.192 -173.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.71 -50.05 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -55.75 -54.57 42.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.48 96.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.6 tp -61.89 -40.97 97.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 -175.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.21 -53.04 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -62.85 -40.46 97.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -173.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.05 -29.05 69.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 -175.569 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.527 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -77.01 160.98 28.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 111.207 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.06 -21.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.26 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.3 mt -120.3 120.97 29.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -55.02 154.82 20.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.704 1.603 . . . . 0.0 111.213 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -74.88 142.27 44.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -175.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.5 mt -108.37 146.85 32.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.4 p -101.34 176.11 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.208 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.59 -41.79 66.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.6 -38.07 88.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -68.11 -40.13 82.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.5 mt -76.25 -35.5 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.12 -40.29 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.282 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 mt -127.78 71.16 77.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.195 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.64 -26.21 33.56 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.752 1.634 . . . . 0.0 111.15 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -78.15 -7.1 56.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.2 mmm -109.94 16.5 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 174.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.2 t -125.53 97.98 35.58 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -55.55 -31.95 80.82 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.693 1.595 . . . . 0.0 111.212 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.6 p -64.13 -20.31 65.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -93.2 -49.45 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 172.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.44 -30.06 70.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -167.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.7 p -95.04 3.54 54.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 -174.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -125.99 106.61 25.4 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.55 -27.13 58.22 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.674 1.582 . . . . 0.0 111.198 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.0 m -64.95 -16.61 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 -175.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -95.69 21.16 8.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -136.85 146.45 45.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -160.2 160.79 33.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -121.24 134.77 55.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.418 ' HA ' HG22 ' A' ' 84' ' ' ILE . 10.2 tp -68.46 145.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -115.12 -38.8 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -172.22 143.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.87 142.85 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 168.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -114.63 -56.64 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.222 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.443 ' OD1' ' SG ' ' A' ' 76' ' ' CYS . 59.5 t-20 -129.06 98.81 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.8 t -103.77 112.66 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.443 ' SG ' ' OD1' ' A' ' 74' ' ' ASN . 85.1 m -130.07 175.94 8.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 178.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.464 ' HA ' ' NH1' ' A' ' 110' ' ' ARG . 88.5 m-20 -59.91 102.48 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -178.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.416 ' HB3' ' HA ' ' A' ' 97' ' ' GLN . 78.1 m-85 66.48 20.34 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -141.27 89.71 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.26 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.4 t -110.38 125.4 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.228 -175.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -115.48 118.59 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.235 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.07 -172.27 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -171.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -134.02 140.87 46.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.418 HG22 ' HA ' ' A' ' 69' ' ' ILE . 2.6 pp -128.43 172.41 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -149.24 165.91 30.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -106.49 -149.97 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 161.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -74.75 -3.41 31.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -172.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.5 p -142.72 -65.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.198 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -93.17 159.64 15.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 -166.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -131.5 139.5 49.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -147.8 147.44 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.191 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.37 151.42 46.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.9 p -141.16 137.73 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -116.85 136.98 52.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.211 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -108.35 113.71 26.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.275 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.0 p -71.33 170.64 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -173.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 65.7 tt0 -56.21 -43.8 78.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.95 -40.03 94.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 96' ' ' SER . 36.4 t -57.28 -52.62 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.57 -42.86 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.8 m -57.91 -52.95 63.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.276 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.81 -44.24 90.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.88 -43.03 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.91 -40.01 75.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.212 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.27 -35.06 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.6 m -79.44 -50.96 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -109.71 3.54 21.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.23 -168.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 56.23 37.27 28.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.1 161.33 31.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.464 ' NH1' ' HA ' ' A' ' 77' ' ' ASP . 82.7 mtt180 -80.12 161.15 25.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.1 mm -47.9 -43.89 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 95.1 m -68.36 -32.37 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.3 t -79.58 128.96 34.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -170.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 60.13 45.74 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 171.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.448 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 52.5 p -133.53 -2.04 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 175.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 98.2 m -53.12 -47.75 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -174.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -116.62 29.89 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 83.3 m -117.58 138.12 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 46.5 tp -71.86 128.24 35.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 175.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 98.0 mmm -95.49 145.26 25.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.234 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 71.3 mt -108.79 136.02 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 170.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.8 mt -114.8 132.44 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -136.4 153.5 21.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.6 t0 44.12 72.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 111.176 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 156' ' ' ASN . . . -132.23 144.07 50.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.227 -174.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -132.44 131.72 42.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.9 mt -80.92 125.73 30.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 174.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.0 159.93 42.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.297 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -90.67 129.88 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.2 m -124.98 160.12 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 171.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.1 p -86.3 166.13 15.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -171.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -50.08 -45.51 52.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 168.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 71.6 m -55.74 -46.24 77.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.63 -39.14 88.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.74 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.0 tpp -80.03 -47.92 14.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.3 p -73.61 -25.83 60.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 -169.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -110.28 -44.76 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.172 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -107.47 2.61 24.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 52.13 40.24 28.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.4 tt -142.97 130.23 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 70.6 m -65.35 137.75 57.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 54.2 tp -109.09 -48.33 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.4 p -70.68 -10.01 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.238 -175.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -103.96 2.39 32.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 49.1 pt -128.11 -19.98 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.6 p -121.11 179.94 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 91.3 p -100.83 3.11 41.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -120.07 168.0 11.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -107.66 -0.52 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.2 pt -128.88 147.83 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.9 p -143.81 136.6 13.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -174.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.96 139.97 64.12 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.751 1.634 . . . . 0.0 111.185 174.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.36 140.04 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.206 177.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 33.8 tp -91.52 110.11 21.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 -171.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' ALA . 54.4 t-20 -90.45 116.81 28.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.33 137.4 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 -169.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -109.96 -26.66 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -125.54 142.67 51.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.62 151.11 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.1 t -160.16 -179.61 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.205 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 98.4 mt -108.07 143.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.21 -176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -132.45 110.06 10.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -80.1 105.79 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.7 tp -162.11 -30.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -150.42 118.02 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.16 150.15 47.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.232 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 87.0 t -72.77 124.81 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.579 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.213 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.83 0.347 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.81 -43.98 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.214 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -72.42 -21.52 61.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -72.78 -33.3 66.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -100.06 25.49 7.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 -178.125 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.772 0.32 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -94.88 155.17 39.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.234 174.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.15 143.41 71.3 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.72 1.613 . . . . 0.0 111.247 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -144.7 -23.89 0.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -172.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.46 -50.58 79.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.98 -49.96 75.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.211 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.95 94.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.32 -41.09 98.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.6 -54.94 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 176.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.11 -43.59 74.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.53 -30.74 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.255 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 -173.715 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.501 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -89.22 160.93 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 111.22 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.6 m -114.59 -20.22 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.0 mt -119.9 120.0 30.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 171.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -55.01 153.87 24.15 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.727 1.618 . . . . 0.0 111.195 -175.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 t -72.17 140.5 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.3 mt -109.87 145.23 37.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.253 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.3 p -100.11 176.24 5.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.51 -42.19 70.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.45 -39.62 92.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -65.52 -43.71 89.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.19 -31.84 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.07 -45.63 66.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.8 mt -129.42 72.97 81.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.56 -25.78 29.16 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.692 1.595 . . . . 0.0 111.206 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -78.94 -9.92 59.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 97.5 mmm -104.93 4.1 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 t -119.08 106.86 42.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -54.95 -31.68 75.03 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.635 1.557 . . . . 0.0 111.141 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.7 p -64.24 -18.68 64.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -175.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.2 mt -104.1 -50.05 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.68 -38.65 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -168.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.3 p -101.61 14.58 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -173.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -127.72 104.16 21.39 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -56.61 -26.58 65.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.746 1.631 . . . . 0.0 111.179 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.9 m -64.89 -16.2 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.158 -173.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.07 9.79 42.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -125.71 149.57 48.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.6 160.02 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -119.27 144.57 46.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 176.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.44 ' HA ' HG22 ' A' ' 84' ' ' ILE . 96.6 mt -88.53 139.49 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -174.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.3 p -108.14 -38.51 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -176.84 141.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -92.99 143.1 26.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 168.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.71 -54.37 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -138.76 73.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.281 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 80' ' ' VAL . 92.4 t -79.04 114.61 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 176.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.1 m -130.0 174.24 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -50.88 99.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 61.96 23.42 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.183 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -140.03 89.94 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 75' ' ' VAL . 86.2 t -104.25 129.43 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -174.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.45 119.24 27.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.194 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.69 -173.61 4.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -172.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -128.79 143.13 50.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.44 HG22 ' HA ' ' A' ' 69' ' ' ILE . 2.5 pp -131.71 175.09 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 176.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -154.06 167.2 30.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -109.84 -144.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 166.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.0 m -85.7 9.5 16.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.1 p -150.62 -66.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -97.56 155.64 16.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -165.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -123.96 138.75 54.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.9 tt -148.3 149.75 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HB2' HG22 ' A' ' 154' ' ' VAL . 94.1 mt -70.28 150.23 46.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 178.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.39 139.44 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.241 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -128.28 151.83 48.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -121.58 127.78 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.261 -173.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 91.2 p -70.21 167.53 17.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -174.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.4 -41.51 89.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.12 -39.95 93.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 96' ' ' SER . 46.2 t -56.72 -52.67 64.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.97 -44.93 99.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.1 m -55.4 -52.41 63.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -65.0 -44.26 89.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.179 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -55.02 -47.31 74.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.01 -42.98 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.92 -37.1 85.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.3 m -71.05 -52.31 20.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.418 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.2 m-70 -99.85 -7.88 24.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.296 -169.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 53.73 42.49 31.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 23.2 p -155.13 172.54 17.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.11 164.01 23.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.6 tp -64.76 -19.9 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.5 p -96.15 -9.32 30.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.0 t -90.1 121.79 32.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -172.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 60.92 36.26 18.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.3 p -126.61 -21.42 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 92.7 m -58.03 -43.66 86.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -116.51 25.11 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.227 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.14 141.65 51.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.29 133.49 47.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.195 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 95.1 mmm -104.01 148.32 26.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -174.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 78.8 mt -109.82 136.63 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.203 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.6 mt -119.4 137.03 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.97 158.18 27.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.6 t0 44.61 70.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 0.0 111.232 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.24 146.43 48.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.223 -174.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -140.02 150.76 44.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.8 mt -91.28 132.77 35.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.1 m -135.21 149.24 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 174.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -92.6 131.13 37.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.74 160.93 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.9 p -88.75 166.77 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.194 -174.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -48.74 -46.79 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 169.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.5 m -54.53 -49.61 69.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.55 -38.89 92.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.83 -25.62 66.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.212 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.3 mtp -90.05 -30.04 17.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 85.2 p -85.94 -21.29 27.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -116.87 -42.54 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -108.63 -2.94 18.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -174.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 55.13 40.13 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 171.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.463 HG23 ' O ' ' A' ' 141' ' ' ILE . 18.0 tt -149.11 120.08 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.7 t -70.47 144.98 51.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 88.5 mt -92.64 -34.09 14.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.212 -174.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.4 p -71.74 -10.08 59.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.289 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -105.67 1.71 27.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.7 pt -130.16 -15.17 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.254 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.2 p -141.97 -179.94 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.6 p -94.61 -0.13 54.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.168 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -122.69 162.72 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -108.62 17.04 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 85.6 mt -135.02 130.23 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 176.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.76 137.06 29.46 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.196 -171.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.06 140.1 40.75 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.723 1.615 . . . . 0.0 111.236 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.423 HG22 ' HB2' ' A' ' 92' ' ' LEU . 90.2 t -134.22 136.63 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.42 113.07 22.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.179 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -94.0 122.76 36.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.6 t -114.7 131.3 67.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -170.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.16 -36.04 9.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -117.2 136.32 53.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.57 151.27 25.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.259 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.9 t -160.04 165.14 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 84.1 mt -92.97 138.28 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -140.0 89.2 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.206 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -65.72 106.5 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.197 -178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 10.2 tp -152.32 -28.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -136.45 109.33 7.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 176.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.41 131.44 50.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.54 120.76 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.919 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.737 0.303 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 74.1 t -69.39 -49.19 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -69.19 -21.56 63.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -75.75 -35.26 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -99.76 29.2 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.227 174.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.739 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.844 0.354 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -79.46 153.9 76.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.17 152.79 56.63 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.652 1.568 . . . . 0.0 111.283 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -143.89 -23.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.23 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.55 -39.54 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.261 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -45.05 -62.97 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.205 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.57 95.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.227 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.2 tp -48.61 -49.98 34.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -85.26 -50.8 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.173 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.69 -39.94 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.193 -171.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -89.69 -9.26 50.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.23 -172.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -174.268 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.545 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -64.15 139.01 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 111.227 -178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -120.0 -61.56 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 91.2 mt -99.3 119.85 59.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -170.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -54.34 154.96 17.4 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.731 1.62 . . . . 0.0 111.23 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 m -69.04 143.83 54.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.246 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.56 149.96 33.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -88.05 171.16 10.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.8 -40.03 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.24 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.34 -40.04 77.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.22 -48.94 79.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.258 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.7 -30.15 66.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.42 71.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.8 mt -136.23 75.46 52.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.214 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -57.26 -37.02 99.01 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.676 1.584 . . . . 0.0 111.221 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -77.4 -6.29 52.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 -174.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.1 mmm -105.22 4.92 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.4 t -114.8 109.23 47.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.211 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -55.3 -33.27 84.42 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.691 1.594 . . . . 0.0 111.215 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.9 p -67.17 -16.99 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -99.57 -39.77 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.218 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.94 -37.91 74.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.2 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.3 p -98.44 10.04 41.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 -173.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -130.67 116.82 17.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.163 -177.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.13 -18.67 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.656 1.571 . . . . 0.0 111.234 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.2 p -65.96 -18.93 65.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -174.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -89.16 -3.94 58.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -109.89 131.98 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.58 141.54 37.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -106.01 106.22 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.5 mt -73.7 121.65 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.9 p -98.98 -29.47 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -179.19 141.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -104.26 159.83 15.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.167 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.66 -58.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -170.01 179.93 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -174.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.2 m -125.44 157.62 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 44.6 t -164.27 132.73 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 55.87 39.98 30.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 66.65 18.98 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.277 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -113.9 167.09 10.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.88 140.14 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.224 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -119.75 124.4 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.93 -177.63 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 -172.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.5 m -126.53 139.58 53.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 174.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.5 pt -128.0 168.35 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.435 ' HB3' ' HG2' ' A' ' 90' ' ' GLN . 36.5 ptt180 -149.28 171.02 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 175.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -141.95 -151.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 172.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -62.37 -29.21 70.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.3 p -98.22 -114.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -101.18 -175.79 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.252 -173.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.435 ' HG2' ' HB3' ' A' ' 85' ' ' ARG . 73.2 mt-30 -100.07 169.62 9.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -174.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -160.0 139.91 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.63 145.05 52.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 173.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -136.49 147.61 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.64 129.79 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.485 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 88.7 m-85 -105.23 134.27 48.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.209 -175.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.9 p -70.08 167.7 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -171.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -57.78 -40.08 78.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.195 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.41 -48.3 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 175.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 46.7 t -57.4 -53.15 61.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.68 -46.5 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -61.42 -52.09 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.214 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.95 -44.34 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -52.86 -52.42 57.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.263 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.91 -35.41 79.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.205 -171.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.12 -37.0 85.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.9 p -95.81 -24.48 16.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.9 m-70 -107.46 -12.75 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 50.13 45.92 25.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 31.2 p -160.77 171.3 19.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.79 141.44 40.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 17.4 tt -67.16 -20.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.6 p -82.18 -19.96 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.9 p -90.17 159.86 16.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 55.17 41.5 31.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 -177.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 41.7 p -111.53 -9.78 14.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.5 m -77.05 -59.44 2.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.4 p-10 -100.16 20.04 15.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.239 -173.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 64.9 m -129.94 164.93 23.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 68.2 mt -110.04 154.34 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.441 ' SD ' ' HB1' ' A' ' 160' ' ' ALA . 47.5 tpp -102.71 130.31 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.8 mm -103.41 110.44 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.249 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 89.9 mt -101.61 140.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.181 -169.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.05 161.13 27.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 175.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.0 t70 43.53 77.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.166 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.61 153.28 43.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -132.93 170.27 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.258 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.8 tp -102.43 132.29 48.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 34.5 m -132.34 174.23 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.185 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -113.15 142.89 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.207 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 78.1 t -132.58 137.56 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.186 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.1 p -92.82 170.5 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -50.5 -59.76 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 173.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.7 p -59.94 -35.44 74.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -174.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 21.1 tpp85 -70.53 -39.17 74.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.29 -25.53 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.247 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 97.8 mtp -73.39 -36.46 66.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 173.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.2 p -83.96 -25.73 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.276 -176.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -107.07 -64.16 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -79.16 -9.49 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 65.66 30.65 10.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 141' ' ' ILE . 18.4 tt -149.62 123.9 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 -178.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.5 t -66.83 141.2 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.247 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.4 mt -82.08 -25.11 34.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 86.9 p -67.52 -17.01 64.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -84.68 -18.04 36.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.0 pt -136.32 19.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.8 t -163.3 153.9 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.225 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.4 p -85.62 -5.34 59.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -120.39 170.03 9.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.89 24.81 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.216 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.4 pt -129.44 157.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.6 p -158.06 132.56 5.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 174.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.67 141.16 30.49 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.66 1.573 . . . . 0.0 111.231 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 72.6 t -136.6 140.01 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.283 -173.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 54.6 tp -88.98 117.9 28.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -97.87 112.81 24.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 84.3 t -108.05 132.45 55.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.216 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -96.38 -31.11 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.97 140.29 38.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.441 ' HB1' ' SD ' ' A' ' 120' ' ' MET . . . -170.9 148.12 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.9 p -135.58 153.34 51.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.216 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 95.7 mt -108.25 137.63 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -174.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -137.13 144.08 42.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 175.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -73.34 74.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 91.6 mt -94.6 -45.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.209 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -161.01 151.1 17.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 61.9 tt0 -79.89 143.53 34.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 -178.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 56.4 t -113.49 144.34 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.767 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.82 0.343 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.52 -19.73 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.215 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -94.62 5.26 52.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -175.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -83.19 -15.82 49.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.248 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -103.27 8.24 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -177.775 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.789 0.328 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.425 ' H ' ' HB3' ' A' ' 63' ' ' PRO . 99.1 mm-40 -109.18 159.11 32.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 174.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.92 130.06 35.95 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.693 1.596 . . . . 0.0 111.178 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 70.2 p-90 -140.61 -21.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.4 mt -64.71 -53.43 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -174.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.19 -40.18 73.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.2 77.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.8 mt -72.55 -29.03 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.87 -49.88 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -60.37 -37.12 79.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.11 -27.96 64.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 -176.429 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.55 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -73.21 143.67 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.9 -13.84 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.9 mt -125.38 127.39 24.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -53.62 154.21 16.58 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.762 1.641 . . . . 0.0 111.246 -175.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.4 m -79.05 147.05 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.56 162.72 15.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.233 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.7 p -118.4 171.93 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.217 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.89 -40.01 55.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.74 -31.65 72.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -77.04 -34.65 57.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -79.59 -26.98 41.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.242 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.53 -41.69 60.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 175.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 mt -128.59 68.68 78.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.09 -26.03 31.11 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.682 1.588 . . . . 0.0 111.265 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -79.14 -3.6 46.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.8 mtp -118.5 18.81 13.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 174.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 t -121.86 100.08 43.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -54.99 -32.18 77.7 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.736 1.624 . . . . 0.0 111.179 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.3 m -53.56 -33.57 55.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.6 mt -89.07 -49.09 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 175.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.26 -37.37 86.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -166.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.6 p -97.37 7.42 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.207 -171.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -125.79 106.56 26.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 80.4 Cg_exo -54.46 -28.57 54.99 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.749 1.633 . . . . 0.0 111.218 178.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.8 m -64.14 -18.88 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -94.27 2.53 55.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.18 142.64 45.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.22 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.62 163.13 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.235 172.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -128.87 139.97 51.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.9 mt -84.14 135.71 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.233 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.5 p -105.13 -30.4 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -176.97 145.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -102.72 157.45 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 172.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -125.74 -36.84 2.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -174.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -147.1 89.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -94.02 115.86 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 84.9 m -135.06 163.63 29.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.272 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.424 ' OD1' ' NH2' ' A' ' 110' ' ' ARG . 78.4 m-20 -60.01 108.88 0.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 66.22 29.05 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 88.7 tttt -164.72 75.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -178.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.5 t -110.61 135.06 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 -172.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.472 ' HB3' ' CD2' ' A' ' 139' ' ' PHE . 97.8 m-85 -120.58 125.84 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 178.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.39 -173.08 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.9 p -127.3 138.23 53.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.218 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.7 pt -128.24 159.97 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -139.81 159.71 41.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.259 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -110.3 -141.64 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.224 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 m -95.13 15.42 19.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t -142.27 -64.89 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -126.22 -178.14 4.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.198 -167.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -127.84 143.55 51.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 tt -137.98 142.88 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.235 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.12 149.66 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 175.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.1 p -135.06 140.09 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -175.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -116.0 133.65 55.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 172.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.85 111.18 23.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.3 p -71.23 168.74 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.271 -174.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.66 -40.32 79.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 173.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.51 -46.92 87.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.04 -56.45 20.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.4 -43.01 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.8 t -61.87 -53.42 56.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.09 -47.17 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.264 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -55.01 -46.47 75.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -69.97 -36.01 74.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 -173.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.44 -38.47 91.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.2 p -90.38 -29.99 17.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -173.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -112.24 -4.94 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.186 -173.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 54.02 42.45 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.2 p -164.6 174.53 10.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.424 ' NH2' ' OD1' ' A' ' 77' ' ' ASP . 93.8 mtt-85 -78.3 155.7 30.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -175.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.3 tp -58.45 -23.24 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 59.5 p -90.53 -17.21 27.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.7 m -60.04 110.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.266 -172.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 60.92 31.96 19.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.486 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 67.4 p -119.19 -23.6 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 172.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.2 m -57.76 -35.16 70.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.223 -177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -116.51 20.2 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.486 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 75.4 m -130.54 -170.86 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.212 -176.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.8 tp -92.86 129.49 38.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.5 ptm -110.24 154.96 22.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.41 ' HB ' HG22 ' A' ' 161' ' ' THR . 44.0 mm -111.42 142.72 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 176.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 82.9 mt -120.56 132.84 69.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.28 158.05 27.59 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.3 t0 52.05 54.85 10.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -124.27 145.6 49.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -169.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -127.84 165.86 19.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 21.3 tp -107.48 133.99 51.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.9 m -137.78 144.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -98.58 132.67 43.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.199 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.2 m -123.79 158.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.5 p -96.91 173.2 7.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -53.13 -46.62 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 173.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -58.27 -47.74 82.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.217 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.43 -37.53 87.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.08 74.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.265 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.2 mtm -77.25 -29.95 54.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.214 175.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.4 m -79.78 -32.94 40.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.191 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -107.63 -61.63 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.472 ' CD2' ' HB3' ' A' ' 81' ' ' TYR . 70.1 m-85 -77.34 -16.53 58.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 66.43 33.55 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 141' ' ' ILE . 6.3 tp -148.84 121.16 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.9 t -62.75 138.46 58.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.09 -24.1 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 89.2 p -61.9 -19.85 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -97.11 -12.45 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.5 pt -137.27 19.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -175.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.9 t -170.78 156.49 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.174 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.6 p -90.31 -5.33 56.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 174.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -122.37 153.84 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -90.03 -7.58 53.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 90.3 mt -125.42 121.36 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 174.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.92 147.7 66.47 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 -172.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.88 145.01 49.55 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.723 1.615 . . . . 0.0 111.194 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.39 136.81 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 53.1 tp -95.84 118.17 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -99.37 122.0 41.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.3 t -111.46 141.47 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 -170.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -121.67 -23.37 5.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -125.66 139.79 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 172.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.74 151.14 16.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 121' ' ' ILE . 14.5 t -145.31 -172.71 3.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 169.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 14.1 tt -120.94 130.64 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -165.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.422 ' HD1' ' HA ' ' A' ' 163' ' ' PHE . 1.3 m-30 -122.21 141.83 51.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 170.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.8 p-10 -99.08 20.35 13.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 173.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.89 -50.33 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.259 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -128.42 102.74 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -173.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -74.69 159.9 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.16 144.96 29.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.219 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.528 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.327 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.89 0.376 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.43 -26.49 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -70.28 -30.04 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.06 -32.85 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.211 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -126.43 30.92 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.3 tp . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 -175.037 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.814 0.34 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -91.91 159.27 38.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.91 142.22 74.52 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.702 1.601 . . . . 0.0 111.221 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -149.79 -28.73 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 -172.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.408 HG22 HG21 ' A' ' 177' ' ' VAL . 97.3 mt -64.79 -49.32 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -171.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -58.0 -52.44 65.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.1 95.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD11 ' HB ' ' A' ' 41' ' ' VAL . 30.2 tp -56.8 -49.95 73.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.66 -46.73 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -58.02 -40.36 80.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.94 -15.03 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.162 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.235 178.036 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.568 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -133.14 159.01 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.195 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.419 ' HB ' HD11 ' A' ' 25' ' ' LEU . 35.7 m -117.27 -18.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 98.4 mt -118.97 123.14 29.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 172.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -55.39 154.32 24.58 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.632 1.555 . . . . 0.0 111.202 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.5 t -74.77 135.75 41.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.88 147.77 27.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.6 p -84.89 168.51 14.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.44 -40.2 68.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.269 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.86 -40.11 75.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -57.96 -48.95 78.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.21 -27.33 60.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.173 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.7 87.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.6 mt -134.02 76.69 63.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.29 -37.43 97.78 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.708 1.606 . . . . 0.0 111.211 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -76.14 -10.19 59.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.2 mmm -100.83 3.75 42.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 t -119.29 101.9 48.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -54.19 -33.33 74.41 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.674 1.582 . . . . 0.0 111.205 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.5 m -54.05 -36.84 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.58 -49.26 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.269 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.68 -40.77 80.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.201 -170.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.0 p -90.75 1.47 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -171.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -125.5 110.35 25.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -68.15 -16.53 44.61 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.693 1.595 . . . . 0.0 111.177 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.5 m -62.91 -22.86 67.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.255 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -90.82 -4.95 56.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -107.54 148.3 29.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.59 151.65 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -114.66 121.61 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.217 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.0 mt -78.94 126.97 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.1 p -94.6 -43.6 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -177.09 149.34 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -99.42 149.48 23.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -107.52 -51.99 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -158.49 149.21 20.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.19 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.0 p -135.85 139.19 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 172.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 52.5 t -159.22 127.73 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.19 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 55.66 40.87 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 65.49 19.85 11.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -113.05 108.19 16.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 176.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -103.89 140.65 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.244 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -118.94 122.6 42.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.33 -177.58 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 -172.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 t -125.03 141.18 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.2 pt -130.02 160.69 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -144.69 145.16 31.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -103.77 -149.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 170.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.4 m -70.71 -23.12 62.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.7 p -103.28 -106.88 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -101.02 -176.6 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -119.22 159.98 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -172.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.4 tp -146.21 150.71 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.55 143.45 48.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.235 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.44 148.71 28.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -133.52 152.34 51.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -120.85 138.11 54.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.218 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 59.6 p -70.14 159.47 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.279 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -50.97 -44.1 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.49 -39.26 91.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.7 t -51.6 -58.04 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.78 -42.52 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -174.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.1 m -54.84 -49.84 70.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.58 -45.37 90.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 111' ' ' ILE . 44.9 t80 -50.94 -46.43 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.62 -42.28 91.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.17 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.87 -40.07 95.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.9 m -72.05 -49.61 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.454 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 96.6 m-70 -98.18 -7.42 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.222 -168.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 54.45 38.83 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 31.5 p -160.26 167.78 26.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.92 144.17 33.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.403 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 14.0 tt -70.05 -12.94 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -177.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.9 p -99.64 -9.45 23.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.261 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -97.54 115.81 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -172.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 59.89 46.63 10.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 64.6 p -127.64 -7.9 5.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.223 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.4 p -72.54 -17.54 61.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -173.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -114.71 21.76 14.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.0 m -117.97 170.61 8.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.2 mt -98.93 146.66 25.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.267 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 62.8 ttp -118.82 134.41 55.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -175.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.21 119.93 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.2 pt -115.2 152.69 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.277 -170.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.59 162.32 29.57 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.6 t0 51.78 70.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.8 148.12 51.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 -174.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -135.24 170.07 16.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.7 mt -99.64 134.68 42.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.7 t -129.73 129.72 66.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.41 120.0 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.214 172.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.5 m -123.94 148.96 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 172.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.3 p -93.03 168.69 10.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.254 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -49.5 -41.91 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.3 p -58.33 -33.45 69.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.18 -35.45 36.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.268 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.03 -37.99 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.5 tpp -79.9 -45.66 18.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.232 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.3 t -66.89 -42.4 85.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -172.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -109.69 -47.02 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 -169.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -85.5 -12.52 51.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.227 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 65.14 35.55 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 20.0 tt -152.84 129.79 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.5 t -60.05 132.89 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.23 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.11 -29.52 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.7 p -62.83 -21.41 65.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -174.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -99.35 -14.28 19.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.256 -173.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.1 pt -120.8 -0.81 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 148' ' ' SER . 53.5 p -152.87 -34.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 169.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 147' ' ' SER . 20.0 m 68.55 24.35 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -174.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -120.11 172.75 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -86.34 -27.02 24.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 90.0 mt -130.1 140.56 48.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.14 134.49 13.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.92 133.03 16.22 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.75 1.634 . . . . 0.0 111.205 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 32.8 m -127.84 160.82 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.1 tp -98.68 120.27 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.236 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -104.42 120.59 41.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 176.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.6 t -110.19 126.98 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -174.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -81.41 -40.43 23.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -134.31 140.01 46.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -162.51 149.16 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 44.5 p -132.61 161.29 34.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 170.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 87.8 mt -131.84 131.95 61.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.226 -173.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.43 140.7 49.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -77.73 97.24 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 80.9 mt -120.56 -73.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -105.02 135.11 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -64.08 129.97 42.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.19 136.36 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.227 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.539 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -177.173 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.794 0.331 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.408 HG21 HG22 ' A' ' 22' ' ' ILE . 50.3 t -56.4 -50.54 71.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -64.54 -45.17 88.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.97 -37.11 66.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -119.85 34.75 5.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.453 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.875 0.369 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -71.6 149.54 93.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.172 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.71 133.92 59.78 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.776 1.651 . . . . 0.0 111.197 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -140.15 -20.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 175.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.5 mt -69.68 -40.05 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.47 -49.44 77.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 171.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.32 -36.93 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 176.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.0 tp -61.0 -50.17 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 pt -76.43 -19.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.27 -43.69 69.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.69 -26.93 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 -177.627 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -136.77 152.74 50.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.6 t -111.31 -40.06 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.6 mt -119.95 119.71 30.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -54.58 153.51 23.32 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.733 1.622 . . . . 0.0 111.212 -175.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.2 t -70.58 132.75 45.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.51 146.66 23.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.4 p -85.71 170.1 12.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.3 -40.04 67.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 172.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -68.44 -40.55 81.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.48 -46.38 90.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.21 -36.82 77.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.85 -41.28 83.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.5 mt -137.3 74.8 47.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.87 -22.28 27.18 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 121.677 1.584 . . . . 0.0 111.203 -177.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -80.36 -5.62 56.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 96.1 mmm -108.52 17.32 22.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.264 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -121.9 88.34 47.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 86.9 Cg_exo -52.54 -30.76 46.06 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.653 1.568 . . . . 0.0 111.216 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.0 m -49.92 -45.65 51.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.2 pt -94.66 -22.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 -175.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 95.4 mt -66.49 -21.45 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.2 p -105.54 17.62 23.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 175.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.424 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 62.2 t-20 -139.76 102.33 7.08 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.236 -179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -61.78 -20.44 69.14 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.698 1.599 . . . . 0.0 111.189 -174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.424 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 88.4 m -60.58 -24.56 65.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 -173.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -89.28 3.22 52.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 -175.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.72 139.92 50.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -176.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.37 153.11 31.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.236 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -111.67 101.64 10.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.204 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.36 125.53 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 173.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.7 p -102.12 -29.91 11.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.2 tttt 179.98 142.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -176.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -101.36 160.04 14.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -108.01 -54.67 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -173.23 179.92 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -176.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.6 t -129.0 126.65 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.0 t -149.48 143.26 25.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.198 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 59.72 31.22 20.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 64.8 21.54 12.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -178.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.66 147.41 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.5 t -104.88 123.86 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 -176.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -105.13 119.94 40.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.83 -174.48 4.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -125.96 141.07 52.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.3 177.3 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.411 ' CB ' ' HG2' ' A' ' 90' ' ' GLN . 13.1 ptm180 -160.0 170.44 21.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -130.03 -149.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 165.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.3 m -84.92 4.36 33.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -174.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.1 t -129.17 -67.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.263 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -119.1 159.53 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -166.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.411 ' HG2' ' CB ' ' A' ' 85' ' ' ARG . 53.1 mt-30 -113.04 150.03 32.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 174.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.3 tt -151.22 144.57 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 -174.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.4 148.95 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.194 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 p -137.23 140.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -119.59 124.12 45.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 85.5 m-85 -98.75 119.85 38.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.532 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.9 p -67.24 168.48 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -174.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -56.81 -42.05 78.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.29 -44.42 84.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 50.2 t -58.14 -60.56 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.218 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.94 -30.39 49.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.229 -175.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.1 t -64.47 -53.55 46.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.39 -42.13 92.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.223 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -54.32 -43.59 71.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -69.99 -39.97 75.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.217 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.03 -36.62 82.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 176.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.9 m -74.47 -50.3 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -108.46 0.88 21.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -168.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.12 38.64 30.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.24 163.48 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.22 159.42 23.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.48 -23.15 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.1 p -85.31 1.15 49.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.0 p -77.1 -129.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.9 68.26 9.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.246 -171.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 54.3 p -127.12 -13.03 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -75.95 -10.29 59.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 -171.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -124.92 20.04 8.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.7 m -121.94 165.02 16.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -178.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 60.4 tp -92.8 122.9 35.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -108.42 148.52 30.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -167.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' A' ' 161' ' ' THR . 46.6 mm -110.05 133.25 56.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.35 139.48 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.26 155.63 25.7 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 40.7 t0 49.12 60.27 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 0.0 111.212 177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.12 150.33 49.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -140.05 154.47 47.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.7 tp -77.1 129.07 35.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.0 -170.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -139.88 159.08 42.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.0 p -124.98 136.88 59.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 173.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 65.4 p -89.98 157.62 17.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -53.53 -42.92 67.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.8 t -63.82 -50.51 68.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -55.78 -43.94 77.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 177.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.84 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.248 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 58.4 ttm -65.71 -40.88 92.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.151 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.4 t -81.33 -67.56 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.292 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -57.9 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -174.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -80.5 -14.74 58.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -173.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 66.7 30.94 7.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 141' ' ' ILE . 18.7 tt -154.16 120.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.7 t -64.77 150.34 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.7 mt -84.13 -9.94 58.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.8 p -70.28 -10.33 58.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.27 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -92.01 -10.71 38.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.5 pt -129.91 -7.91 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.214 -175.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 91.1 p -149.97 160.72 43.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 92.3 p -98.11 1.78 47.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 172.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -116.56 172.95 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 175.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -95.8 7.57 45.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -172.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.6 pt -133.76 143.91 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.1 t -137.31 136.6 20.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -57.04 136.75 78.55 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.701 1.601 . . . . 0.0 111.217 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 53.5 t -139.38 146.92 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 55.2 tp -100.09 127.01 46.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 174.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -100.03 114.07 27.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.2 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 84.3 t -109.87 143.74 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.251 -173.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.25 -22.11 4.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -177.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -126.71 140.13 52.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 170.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -153.47 150.02 28.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.424 HG22 ' HB ' ' A' ' 121' ' ' ILE . 13.0 t -159.16 -179.44 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 172.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 93.6 mt -107.6 134.91 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -99.85 -54.09 3.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -159.29 174.47 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 -173.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 43.6 pt -97.8 31.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.15 127.29 30.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -61.1 138.79 58.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 22.6 m -110.17 168.11 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.244 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.535 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 178.375 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.74 0.305 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.89 -23.58 33.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -90.26 -50.4 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.285 174.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -53.95 -38.27 64.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.162 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -114.63 28.0 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 -177.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 -179.762 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 tp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -81.9 158.0 68.26 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.233 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.89 161.65 44.78 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.679 1.586 . . . . 0.0 111.237 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.9 p90 -149.99 -26.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.235 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -51.13 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.226 -169.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.03 -44.56 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.04 75.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.234 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.06 -33.46 76.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 -173.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.5 -59.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 177.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.58 -37.47 87.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -170.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -64.12 -26.15 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -174.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -82.7 156.82 23.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 0.0 111.209 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG23 HG13 ' A' ' 42' ' ' ILE . 35.3 m -118.08 -18.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.224 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.409 HG13 HG23 ' A' ' 41' ' ' VAL . 95.3 mt -115.46 115.04 42.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.27 172.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -55.1 154.87 20.83 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.755 1.637 . . . . 0.0 111.198 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.5 p -73.18 160.05 32.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -124.05 167.59 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.0 p -118.93 168.25 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -49.41 -40.0 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.26 -32.35 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.21 -177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -75.37 -43.62 49.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.72 -27.84 62.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.97 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -131.82 73.35 78.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.29 -26.64 29.58 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.65 1.566 . . . . 0.0 111.22 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -80.3 -9.99 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.273 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.8 mmm -104.09 -0.2 28.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.0 t -120.97 109.18 35.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.259 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -53.88 -30.45 58.11 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.687 1.591 . . . . 0.0 111.204 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 m -50.12 -35.89 27.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.7 mt -100.01 -48.64 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.81 -41.38 70.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -169.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.9 p -104.97 14.41 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -170.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -128.31 102.36 21.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.5 -27.94 61.82 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.652 1.568 . . . . 0.0 111.226 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.9 m -59.98 -24.31 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -93.15 9.75 34.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.189 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.3 166.24 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 174.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.43 145.94 18.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 171.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -101.6 121.1 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.4 mt -81.78 134.98 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.2 p -111.58 -40.05 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -176.85 147.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 82' ' ' ALA . 58.2 m-85 -101.04 143.69 30.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 169.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -110.46 -50.11 2.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.256 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -134.4 153.04 52.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.198 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -146.53 121.54 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 61.4 m -130.18 175.29 9.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 174.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -76.24 -11.94 60.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -115.5 -33.39 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -175.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 99.0 mttt -146.24 139.8 26.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -175.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.416 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 96.5 t -126.67 139.41 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 174.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -121.82 118.04 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -174.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 72' ' ' PHE . . . -143.16 -177.28 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.14 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.4 t -126.63 139.9 52.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.9 pt -129.64 -176.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -158.84 169.32 24.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -117.03 -138.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 168.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 m -106.25 13.41 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.6 t -120.72 -54.36 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -162.95 -178.42 6.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -92.96 172.44 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.4 tt -165.65 139.21 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 170.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.48 148.24 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.89 137.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -174.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -120.51 126.31 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.714 ' HB3' ' HG ' ' A' ' 99' ' ' CYS . 83.8 m-85 -99.79 133.42 44.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 76.9 p -74.71 168.43 19.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.251 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -56.62 -40.05 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 171.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.1 -46.92 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.18 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.714 ' HG ' ' HB3' ' A' ' 95' ' ' PHE . 51.2 t -55.97 -50.94 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 176.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 68.4 t -55.19 -49.96 67.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.6 m -57.83 -48.42 79.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -57.7 -44.96 86.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -58.52 -51.93 67.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.205 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.28 -31.5 71.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.81 -29.94 69.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -103.38 -22.43 13.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.179 -171.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.63 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 76.8 m80 -109.56 -22.47 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 -176.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 48.94 48.27 20.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 27.8 p -162.78 -176.42 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.87 144.34 37.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.5 tt -68.71 -14.7 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.3 p -97.25 -9.11 28.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.221 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.8 t -90.85 116.7 28.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -172.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 60.07 44.02 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.221 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 49.0 p -130.09 -14.73 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.2 p -70.51 -13.58 62.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 -168.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -129.06 20.09 5.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 82.3 m -110.01 138.43 46.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.6 tp -63.53 143.68 57.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 174.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 33.5 ttp -124.25 144.11 50.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.287 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.0 mt -113.74 126.2 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 70.9 mt -114.47 147.63 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -169.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.73 152.53 24.25 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 43.4 t0 50.37 76.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -141.3 147.79 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -129.93 168.4 16.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.218 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.7 mt -111.89 133.97 53.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.06 153.6 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -91.88 139.53 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.0 m -125.0 157.43 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.7 p -90.92 174.81 7.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -174.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -53.31 -53.61 48.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.5 p -55.04 -42.77 73.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 42.3 mmt180 -60.1 -49.58 77.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.63 75.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.8 mtp -72.35 -43.3 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.5 p -79.99 -21.59 43.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.212 -173.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -105.1 -42.7 5.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.267 -174.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 97.0 m-85 -117.75 -10.3 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -171.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 89.7 mttt 71.08 35.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 88.8 mt -129.02 111.75 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.1 t -69.75 132.34 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 169.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 80.3 mt -95.18 -36.58 11.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.3 p -72.78 -12.52 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.174 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -109.45 14.99 23.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 19.8 tt -143.16 -15.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.235 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.3 p -145.04 167.96 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 94.0 p -83.61 -18.68 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -107.23 151.69 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -102.67 10.91 38.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -129.14 145.76 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.259 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.6 m -139.41 151.67 67.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.24 145.39 30.6 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.731 1.62 . . . . 0.0 111.216 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.17 135.05 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 45.0 tp -86.6 110.22 19.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -85.84 112.45 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 96.8 t -109.86 127.18 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -169.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -91.93 -50.42 5.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -111.29 136.54 50.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.191 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.69 138.69 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 88.4 m -133.25 129.83 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 91.5 mt -101.52 129.76 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 -174.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -117.44 151.17 37.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 -172.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -100.04 19.89 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 40.2 pt -81.1 -12.16 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -157.43 121.62 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.228 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -83.04 150.09 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.2 m -130.62 164.39 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.508 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -178.034 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.86 -20.04 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -99.15 -23.07 15.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.06 -37.41 61.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -110.93 12.49 22.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.253 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.1 tp . . . . . 0 C--O 1.2 -1.545 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 179.903 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 5.3 mp . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.856 0.36 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -105.81 158.05 33.28 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -53.96 128.61 30.42 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.747 1.631 . . . . 0.0 111.204 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -158.43 -37.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.03 -39.12 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.224 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -52.81 -51.44 60.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 173.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.18 90.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.52 -42.72 98.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.173 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.3 mt -65.56 -39.95 86.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.211 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.89 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.212 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.97 -34.33 77.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 178.354 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.571 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -125.84 159.62 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 111.234 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.5 t -90.27 -39.71 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.4 pt -133.47 60.77 49.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -176.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -81.2 -3.78 12.28 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.708 1.605 . . . . 0.0 111.2 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -66.45 -24.37 66.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 mt -78.13 145.51 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.8 p -117.36 178.71 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.96 -36.82 77.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -67.92 -38.62 83.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.225 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -62.38 -46.61 87.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.08 -28.04 61.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.92 99.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 mt -131.07 78.99 72.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -60.55 -34.94 92.03 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.753 1.635 . . . . 0.0 111.173 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -74.9 -6.93 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.9 mmm -109.81 14.55 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 173.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 t -130.56 95.23 27.25 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.223 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.95 -32.05 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.683 1.588 . . . . 0.0 111.222 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -52.91 -37.4 60.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.0 mt -80.88 -50.09 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.244 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.6 -35.08 76.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.216 -166.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.9 p -94.58 -5.72 45.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.22 -169.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -120.04 123.82 28.17 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.457 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . 74.1 Cg_endo -79.29 -13.22 13.85 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.696 1.598 . . . . 0.0 111.196 -172.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.6 p -73.59 -6.58 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.215 -171.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -97.26 -9.5 27.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.226 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -99.86 143.83 29.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 -174.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.82 143.79 24.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.96 106.19 14.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.439 ' HA ' HG22 ' A' ' 84' ' ' ILE . 96.9 mt -66.06 134.43 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.224 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.5 p -107.93 -31.15 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 -177.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -169.93 140.11 2.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.01 145.39 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 166.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -105.88 -50.01 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 -175.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -168.64 164.38 12.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.82 121.6 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 174.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.64 ' HG ' ' HE2' ' A' ' 81' ' ' TYR . 31.1 p -160.88 164.25 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 56.64 31.68 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 62.25 24.37 14.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.223 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.84 147.47 52.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.35 132.57 57.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.64 ' HE2' ' HG ' ' A' ' 76' ' ' CYS . 66.1 m-85 -116.06 117.46 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -172.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.16 -178.55 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -173.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -132.63 145.72 51.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.439 HG22 ' HA ' ' A' ' 69' ' ' ILE . 2.3 pp -130.11 156.4 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 -176.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HG2' ' HB2' ' A' ' 90' ' ' GLN . 99.0 mtt180 -117.8 159.08 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.276 169.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -138.38 -160.81 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 174.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.4 m -70.06 -19.94 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.226 -173.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.4 p -98.26 -79.56 0.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.195 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.73 -171.96 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.311 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.427 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 57.3 tt0 -97.88 141.76 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.209 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.5 pt -142.23 175.1 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 170.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.55 162.01 13.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.0 140.0 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -125.24 120.83 32.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -96.53 117.15 30.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.173 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.5 p -70.37 167.3 18.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 -176.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -55.46 -39.89 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.68 -45.39 94.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.173 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.5 t -56.4 -51.56 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 178.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.06 -49.09 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -57.87 -49.09 77.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.195 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.01 -43.69 91.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -55.55 -41.75 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.68 -44.45 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.91 -34.91 73.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.5 m -78.7 -53.83 6.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.218 -176.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -105.98 1.47 26.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 -167.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 57.13 35.31 26.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.8 p -162.21 172.26 16.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.8 158.08 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.8 tp -62.59 -21.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.7 p -89.18 -2.21 58.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m -76.36 70.22 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 50.17 55.6 9.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.229 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 61.8 p -102.5 -1.39 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 174.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.6 m -57.1 -40.47 77.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -99.57 30.25 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.7 m -127.39 149.67 49.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 173.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.5 tp -76.02 120.16 20.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.186 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 65.4 ttp -99.43 135.27 41.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.19 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 83.7 mt -119.98 121.84 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.9 pt -111.81 160.05 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.179 -170.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.67 160.79 28.96 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.1 t70 54.85 40.16 31.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.195 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -101.63 149.14 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -124.1 161.42 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.205 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.5 tp -103.58 127.59 50.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 -174.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.05 -177.24 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -127.5 146.01 50.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 175.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.3 p -126.7 145.88 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 174.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.9 p -94.59 165.39 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -50.04 -57.45 7.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.5 m -59.34 -41.68 89.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.19 -174.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -69.08 -50.57 47.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.72 -31.03 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.14 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 67.3 ttp -54.41 -37.33 64.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.0 p -113.96 -13.75 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 -171.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -100.1 -50.64 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -93.56 -3.19 53.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.162 173.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 61.21 34.28 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 141' ' ' ILE . 8.7 tp -156.68 103.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 90.9 p -60.59 154.66 20.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.42 -32.48 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -171.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 88.3 p -74.57 -9.88 59.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 -176.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -105.9 3.03 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.4 pt -128.72 -12.92 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 52.1 p -146.2 179.91 7.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 92.1 p -91.16 -0.1 57.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -116.58 151.78 35.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.283 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -103.95 6.07 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.243 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -135.0 134.23 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.75 133.98 20.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.66 149.99 79.32 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.685 1.59 . . . . 0.0 111.209 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 84.7 t -131.54 139.91 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.33 116.07 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 170.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -95.37 107.63 19.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.206 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 82.0 t -101.77 138.82 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -166.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -110.91 -23.02 11.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.176 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -140.95 141.82 34.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 175.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.92 146.58 20.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 82.6 p -139.29 170.08 16.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.192 172.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 49.1 mm -101.36 136.01 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -91.87 -60.03 1.97 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.205 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -166.35 163.55 17.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.99 133.15 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -160.77 98.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -54.97 133.24 48.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -173.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 49.2 t -124.05 140.15 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.178 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 179.157 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.98 -42.49 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -56.14 -34.86 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -176.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.9 -31.51 60.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -120.25 27.53 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.246 -178.397 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.809 0.338 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 p -100.77 1.47 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.25 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -51.05 144.08 9.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.205 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.0 p -86.45 7.83 24.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.6 m -67.19 -13.72 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -91.21 4.93 51.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 tp -94.34 94.15 8.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' H ' ' HB3' ' A' ' 63' ' ' PRO . 81.3 mm-40 -117.93 157.2 49.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 178.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -55.07 136.31 72.52 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.701 1.601 . . . . 0.0 111.174 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -150.32 -28.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.89 -49.94 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.72 -57.21 12.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.61 79.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.6 tp -61.67 -46.6 89.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.29 -31.39 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.54 -42.82 86.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -73.86 -15.28 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -124.6 43.67 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.5 p -78.72 -9.96 59.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -82.14 80.06 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -72.44 -15.59 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.22 -171.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -90.96 -13.57 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -110.06 -30.01 7.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -77.52 136.89 38.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.22 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -59.95 132.25 89.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -53.55 -36.64 81.14 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.762 1.641 . . . . 0.0 111.2 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.8 m -110.05 22.33 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.16 112.88 5.35 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -71.38 138.61 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.161 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.88 -22.34 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 -173.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.5 pt -130.76 158.71 74.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.01 155.55 54.86 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.715 1.61 . . . . 0.0 111.182 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.3 t -76.96 129.25 35.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.227 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.58 155.98 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -99.78 171.34 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.73 -31.76 69.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -68.52 -40.64 80.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.92 -40.38 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -68.74 -33.11 73.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.33 -43.45 81.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.0 mt -137.78 73.14 47.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.226 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.53 -26.13 14.38 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.717 1.611 . . . . 0.0 111.224 -177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -80.23 -4.41 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.0 mmm -113.78 10.03 17.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -112.66 107.59 54.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.88 -36.03 90.51 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.706 1.604 . . . . 0.0 111.234 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.9 m -53.01 -37.91 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.233 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -84.62 -43.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.23 -37.84 81.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 -172.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.7 p -90.49 0.18 57.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -122.29 98.31 44.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 71.8 Cg_exo -54.85 -25.04 41.38 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.665 1.576 . . . . 0.0 111.205 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.1 m -59.4 -27.15 65.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -175.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -81.4 -16.83 51.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -87.55 136.61 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 -176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.86 159.63 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -124.23 142.18 51.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.7 mt -94.38 128.94 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.2 p -107.72 -28.19 9.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -179.97 147.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -110.9 160.34 16.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -108.0 -61.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.248 -175.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -169.96 177.79 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 -171.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.29 129.89 65.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 49.7 t -148.16 139.96 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.227 -175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 58.1 35.04 24.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.217 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 64.98 21.0 12.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -122.74 138.74 54.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -94.72 131.92 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.214 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CE2' ' HB3' ' A' ' 138' ' ' HIS . 96.9 m-85 -114.35 114.84 26.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.65 -178.76 5.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.6 t -125.99 131.61 52.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 pt -130.74 164.67 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -151.2 -175.87 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -138.91 -150.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 172.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.6 m -66.08 -20.19 66.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.2 p -106.84 -108.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.216 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -98.59 173.5 6.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -163.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' H ' ' HB2' ' A' ' 176' ' ' PHE . 30.2 tt0 -115.76 144.9 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 -173.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.8 tt -147.27 148.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.79 152.3 43.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.8 p -137.94 137.57 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -116.55 129.83 56.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -102.24 117.39 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.223 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 79.6 p -64.22 163.03 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -174.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -55.6 -40.14 71.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.2 -46.05 91.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 174.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.4 t -56.62 -48.34 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.73 -50.13 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -56.89 -50.0 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.76 -46.88 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.205 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.99 -45.66 71.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -40.96 95.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.16 -39.07 91.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.5 m -73.75 -50.04 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.523 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.8 m-70 -102.62 -9.15 20.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -167.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 54.87 40.13 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.523 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 28.8 p -161.64 176.12 11.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.249 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.02 158.72 17.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.83 -17.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 76.6 p -101.64 4.25 40.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.2 m -70.23 84.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 46.23 60.02 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.0 p -112.47 2.74 16.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.235 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.9 p -78.38 -5.48 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -171.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -124.14 19.94 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.64 168.42 9.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.17 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.2 tp -107.69 124.13 49.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.1 ptm -110.06 158.56 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -169.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.0 mm -126.7 132.35 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 173.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.3 154.4 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.56 154.55 25.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.4 t0 52.75 45.79 28.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.163 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -107.68 152.51 24.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.0 164.83 23.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 153' ' ' PRO . 59.4 tp -108.76 129.77 55.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.9 139.52 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -96.09 137.0 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.1 m -125.55 161.26 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.4 p -97.6 178.0 5.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -57.02 -55.74 30.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.5 p -59.53 -33.49 71.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 57.0 mmm-85 -66.21 -51.82 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.5 -30.17 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.199 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 66.4 ttp -70.03 -39.94 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.228 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 96.0 p -85.58 -22.57 27.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.411 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . 68.5 m-70 -103.27 -63.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -176.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -80.09 -9.41 59.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 69.18 30.85 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 141' ' ' ILE . 6.8 tp -149.13 120.02 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.9 t -65.25 143.38 57.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.2 -20.38 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.6 p -58.79 -23.16 59.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -174.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -99.98 -11.83 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.6 pt -137.82 32.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.2 p -162.61 164.72 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 176.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.0 p -104.18 -10.63 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 170.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -129.89 154.82 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -77.18 -15.27 59.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.9 mt -122.71 121.65 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.9 m -132.78 151.74 78.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.404 ' HB2' HD11 ' A' ' 127' ' ' LEU . 78.8 Cg_endo -75.86 144.63 27.74 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.648 1.566 . . . . 0.0 111.211 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 79.4 t -136.95 142.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.74 127.55 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -108.38 110.73 22.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.64 133.53 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 -170.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -106.37 -29.74 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.227 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -119.88 132.67 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -149.31 143.89 26.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.1 t -150.06 138.28 20.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 94.2 mt -125.67 127.6 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.186 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.88 145.7 51.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -76.96 71.85 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 96.6 mt -101.42 -58.66 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -115.88 118.18 32.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.22 130.93 49.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.26 140.89 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -74.54 170.56 53.69 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 90.1 p -79.3 165.62 23.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 111.211 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 171' ' ' LEU . 10.2 tt -73.27 102.37 3.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 85.8 p -69.33 157.7 36.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 38.1 p -86.34 65.08 8.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -163.61 120.49 1.18 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -74.11 151.61 44.47 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.721 1.614 . . . . 0.0 111.183 177.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.418 ' HB2' ' H ' ' A' ' 90' ' ' GLN . 97.5 m-85 -119.17 -67.6 0.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.52 -33.85 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 178' ' ' TYR . 5.7 m-30 -86.95 -8.34 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -97.9 -29.47 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.224 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -119.93 36.75 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 -177.774 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.814 0.34 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -115.2 19.17 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -52.89 140.87 23.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.3 p -77.0 -8.9 58.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.211 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -51.5 -41.33 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -101.24 4.81 42.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.57 8.29 43.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.249 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -70.01 157.58 89.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.179 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.1 141.52 57.64 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.657 1.571 . . . . 0.0 111.232 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -139.66 -16.09 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.8 mt -75.84 -34.24 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.197 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.66 -39.97 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 169.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.93 84.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.195 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.17 -44.14 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.01 -47.63 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.99 -47.03 86.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.23 -36.9 81.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -116.34 39.47 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.192 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.6 p -68.5 -21.42 64.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -111.24 33.71 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.238 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -70.72 163.18 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -104.46 169.51 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -56.74 109.99 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 -176.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 66.95 23.04 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -83.29 120.4 75.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.05 152.37 31.46 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.682 1.588 . . . . 0.0 111.221 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.6 m -120.05 170.39 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.232 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.46 -165.44 16.56 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -66.17 137.79 57.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.174 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.7 m -121.82 -13.06 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.1 mt -118.94 129.8 25.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -53.07 151.03 22.3 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 121.734 1.623 . . . . 0.0 111.157 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.0 t -64.38 136.58 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.217 -173.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' HA3' ' A' ' 123' ' ' GLY . 9.7 tp -85.4 140.07 31.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.21 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.8 p -101.89 170.26 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.95 -36.51 84.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.76 -37.63 88.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.71 -45.85 92.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.25 -48.5 78.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.167 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.18 68.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.5 mt -135.98 77.09 50.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -173.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -68.96 -26.14 31.7 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.657 1.572 . . . . 0.0 111.213 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -84.05 -3.69 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.2 mmm -110.21 14.07 22.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 t -117.69 107.58 44.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -53.91 -35.52 80.37 Favored 'Trans proline' 0 C--N 1.328 -0.535 0 C-N-CA 121.734 1.623 . . . . 0.0 111.206 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.2 m -54.56 -36.12 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.7 mt -83.78 -44.15 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.255 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.38 -31.1 70.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.189 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.7 p -102.47 10.83 38.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -130.94 113.35 16.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.64 -17.85 42.76 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.651 1.567 . . . . 0.0 111.175 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.5 m -64.54 -19.32 65.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -96.66 14.98 23.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.172 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.22 136.92 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.96 144.49 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -110.45 109.0 19.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.5 mt -75.31 123.09 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -97.38 -20.45 17.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -170.06 141.4 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.268 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.18 144.19 27.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 167.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -101.06 -59.74 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -170.4 170.23 7.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 -177.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.68 114.49 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.0 140.0 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 54.89 34.61 22.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.219 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 64.05 25.73 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.06 125.14 47.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.53 134.55 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -117.75 121.85 41.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.51 -177.81 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -175.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -127.88 139.83 52.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.2 pt -130.91 148.52 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.3 ptt85 -130.11 160.03 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.215 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -112.34 -141.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 167.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.0 m -101.22 17.5 22.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.193 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 t -139.13 -64.43 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -129.32 168.48 16.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.244 -172.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -125.0 139.08 54.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.0 pt -132.05 174.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.46 ' HB2' HG22 ' A' ' 154' ' ' VAL . 97.9 mt -92.43 156.56 17.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.206 170.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.53 142.54 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -132.06 142.14 49.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -114.95 128.27 56.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 73.9 p -65.9 162.48 18.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -55.5 -40.03 71.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.237 174.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.95 -42.58 94.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 96' ' ' SER . 43.2 t -55.32 -52.21 64.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 175.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.99 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.6 m -56.58 -50.09 72.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -63.43 -45.37 91.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.213 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -54.96 -48.8 72.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.03 -42.9 79.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.65 -39.2 93.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.22 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -70.91 -49.63 43.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.246 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -99.73 -9.58 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -168.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 54.43 42.67 31.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.168 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.8 p -155.52 167.06 31.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.67 165.49 20.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.9 tp -65.48 -20.0 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.3 p -96.7 -9.68 28.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.1 t -96.6 124.13 40.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 60.04 37.81 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.6 p -124.61 -19.54 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.0 m -60.06 -41.54 92.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.5 p-10 -98.71 21.01 11.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 72.1 m -129.5 170.12 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.2 mt -100.48 138.71 37.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.251 172.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.0 tpp -85.35 129.15 34.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.235 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 43.1 mm -105.45 101.37 12.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.0 mt -98.81 137.28 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.487 ' HA3' ' HB2' ' A' ' 45' ' ' LEU . . . -147.63 170.59 28.35 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.8 t0 41.25 67.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.239 -171.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.74 145.22 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -124.83 150.02 46.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 49.4 tp -101.13 129.69 47.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.217 -174.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.1 177.22 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -127.6 139.37 52.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.58 160.1 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.1 p -91.74 176.75 6.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.255 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -50.1 -56.46 10.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 172.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.6 p -66.98 -35.95 81.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -59.99 -48.17 82.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.04 85.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 67.1 ttp -55.92 -39.86 72.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.233 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.0 t -75.94 -55.62 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -75.01 -50.01 17.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 -171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -97.05 -1.89 44.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.211 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt 66.34 30.05 9.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 141' ' ' ILE . 18.5 tt -152.33 119.94 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 94.4 p -70.35 160.23 32.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.02 -36.86 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.198 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 80.8 p -75.72 -10.1 59.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.156 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -104.6 -0.84 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.252 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 47.2 pt -122.85 -18.73 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.8 p -148.25 177.49 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 98.6 p -91.17 0.47 57.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -119.61 150.25 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -116.42 -11.44 11.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 81.8 mt -88.97 96.95 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -120.88 131.5 24.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.36 144.01 32.17 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.7 1.6 . . . . 0.0 111.222 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' A' ' 92' ' ' LEU . 84.7 t -134.69 131.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 48.6 tp -93.76 110.62 22.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -88.0 114.12 24.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 81.1 t -107.41 125.93 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 -170.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -87.81 -41.59 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -133.47 143.51 48.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.246 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.88 20.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.4 t -139.11 -170.37 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 173.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 6.4 tp -140.62 146.66 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 -173.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -158.96 140.58 13.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.22 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -77.33 111.42 12.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -173.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 86.0 mt -131.58 -50.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -143.07 117.14 9.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.224 -173.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 66.0 tt0 -57.24 133.48 55.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.213 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 67.7 t -104.28 130.14 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.239 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.92 176.05 54.81 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 85.3 p -79.95 178.45 8.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.752 0.311 . . . . 0.0 111.236 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.7 129.44 41.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 88.1 p -151.12 173.67 14.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.247 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 88.7 m -55.52 120.18 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -159.54 137.07 7.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -51.38 136.9 47.92 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.729 1.619 . . . . 0.0 111.19 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.91 160.59 15.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.06 -49.72 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -68.6 -20.09 64.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -74.55 -35.9 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -120.43 33.37 5.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 40.9 tp . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -178.106 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.811 0.339 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -113.08 12.85 19.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.15 140.55 55.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.198 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 94.9 p -87.04 -3.12 59.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.62 -39.9 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -100.51 12.46 37.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.5 mt -114.47 19.13 16.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -64.66 159.0 65.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.239 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.71 130.22 36.07 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.713 1.609 . . . . 0.0 111.185 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -137.35 -21.5 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.26 -40.99 88.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.07 -53.71 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.254 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.93 -40.06 75.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tt -56.92 -59.97 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.269 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.6 pt -73.95 -20.1 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -77.49 -51.39 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.79 -30.56 70.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -110.94 35.16 3.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -65.29 -25.26 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -79.94 71.69 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -69.25 -15.8 63.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -79.09 -17.06 55.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -109.85 -19.89 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -55.07 126.0 22.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.206 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -59.98 127.49 85.74 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -53.99 -39.51 84.83 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.73 1.62 . . . . 0.0 111.21 -176.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.1 m -110.1 19.85 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.25 162.24 30.72 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -124.29 156.59 36.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 111.184 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.42 -45.93 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.218 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.17 123.24 49.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -56.37 150.86 48.01 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.748 1.632 . . . . 0.0 111.147 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.8 t -70.97 143.29 50.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HG ' ' HA3' ' A' ' 123' ' ' GLY . 91.1 mt -78.18 135.98 37.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.222 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.3 p -84.62 173.59 10.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.242 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.15 -44.38 79.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -65.6 -40.71 92.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.83 -47.04 86.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.88 -42.44 81.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.98 66.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 mt -134.21 79.67 55.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -57.92 -36.73 97.99 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.723 1.615 . . . . 0.0 111.228 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -77.5 -8.14 57.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.9 mmm -105.06 16.37 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.211 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -123.11 92.72 48.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HA ' ' HB3' ' A' ' 60' ' ' LEU . 79.4 Cg_exo -53.86 -31.9 64.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.667 1.578 . . . . 0.0 111.254 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -54.43 -34.39 61.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.7 pt -109.68 -20.0 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 57' ' ' PRO . 61.1 tp -68.35 -38.56 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.9 p -94.94 17.04 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -129.87 101.84 18.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -55.48 -27.96 61.81 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.671 1.581 . . . . 0.0 111.205 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.4 m -55.69 -29.94 60.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.482 ' HB3' HG23 ' A' ' 121' ' ' ILE . 36.7 m-70 -80.15 -18.03 50.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 -176.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -91.49 140.38 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 -173.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -151.29 159.94 44.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -150.02 124.02 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.9 mt -82.29 125.91 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.275 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.4 p -95.24 -23.11 17.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.238 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -167.42 140.06 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.05 147.25 25.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -119.92 -48.13 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -141.41 104.2 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -172.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.95 120.65 53.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.221 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . 80.7 m -127.58 -170.09 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.44 89.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 -176.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 64.19 15.1 9.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 76' ' ' CYS . 99.7 mttt -125.58 100.09 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.9 t -115.58 127.28 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -167.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -107.24 120.76 43.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 174.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.57 -177.12 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -125.76 139.18 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.4 pt -125.75 170.86 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -156.69 164.62 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -117.98 -149.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 171.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.2 m -78.42 -1.5 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 -171.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t -147.41 -61.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -89.88 169.91 10.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.215 -170.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -145.84 150.24 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 tt -157.13 146.73 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 -170.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.58 151.82 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 p -135.28 140.03 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -120.4 119.51 33.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -96.74 117.07 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 80.1 p -71.33 164.51 25.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.227 -171.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -50.23 -47.14 55.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.21 -45.66 92.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.223 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 96' ' ' SER . 46.1 t -54.91 -59.57 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.7 -40.3 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -172.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.2 t -59.86 -50.64 73.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.222 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -66.66 -40.66 88.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -55.0 -44.6 74.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -67.73 -41.48 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.261 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -56.89 -43.75 81.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.1 m -72.97 -51.5 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -103.91 5.83 35.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 -168.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 58.89 29.88 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.4 p -168.57 147.89 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -80.75 171.1 15.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.97 -17.38 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.193 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.5 p -84.74 -15.67 44.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.7 t -107.02 136.07 47.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 59.98 41.45 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.461 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 76.3 p -131.48 -10.13 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.5 m -52.7 -48.7 66.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -172.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -120.97 37.04 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 60.7 m -125.83 170.36 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.261 -175.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.43 123.95 45.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.8 ptp -112.82 160.23 18.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 -173.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.482 HG23 ' HB3' ' A' ' 65' ' ' HIS . 67.3 mt -117.83 139.1 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 169.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 47.1 pt -120.63 165.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.42 ' HA3' ' HG ' ' A' ' 45' ' ' LEU . . . -161.17 172.26 37.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.0 t0 55.0 45.55 26.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 156' ' ' ASN . . . -115.66 138.93 50.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.183 -170.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -124.31 151.65 44.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.214 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 62.8 tp -89.1 127.0 35.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.4 p -139.74 139.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.242 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -102.51 134.0 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.17 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.8 m -124.85 164.91 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.291 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 82.5 p -96.86 164.38 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.281 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -50.0 -43.13 50.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.8 p -55.98 -37.62 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.47 -37.82 56.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.196 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.42 72.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.239 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 79.5 mtm -81.35 -41.17 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.6 p -83.08 -28.71 29.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -170.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -110.97 -48.84 3.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -90.23 -8.32 51.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.252 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 57.9 38.09 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 141' ' ' ILE . 16.6 tt -150.03 119.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 177.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.5 t -71.35 141.77 50.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 82.2 mt -81.34 -15.11 56.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 82.9 p -76.66 -10.07 59.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -98.63 13.18 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.1 tt -144.29 -29.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.4 p -150.08 -179.57 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 88.0 p -101.26 14.0 33.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 171.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -89.17 150.63 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.205 -174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -99.48 -7.72 25.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.24 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -130.06 167.26 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.7 p -153.54 133.61 7.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.218 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.28 140.21 40.19 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.716 1.61 . . . . 0.0 111.234 175.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.26 140.16 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 47.4 tp -95.17 116.11 28.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.273 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 125' ' ' ALA . 43.0 t30 -97.44 111.46 23.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 86.9 t -103.55 142.36 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -170.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.66 -23.88 4.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -122.22 142.93 49.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 172.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.14 153.07 30.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.189 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.8 t -160.03 161.06 33.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 98.7 mt -88.51 129.32 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -100.14 -49.94 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.239 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -162.49 179.39 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 43.3 pt -100.13 35.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.221 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -79.57 110.82 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -75.57 135.78 40.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.261 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 92.0 t -120.81 144.16 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -59.01 160.75 14.75 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 82.1 p -82.99 -172.17 3.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.808 0.337 . . . . 0.0 111.184 -176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.47 155.05 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 78.3 p -85.65 179.31 7.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 99.7 m -77.81 -40.97 38.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -107.72 152.19 41.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 -173.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.31 158.49 48.44 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.669 1.579 . . . . 0.0 111.213 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -125.38 -60.22 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.37 -20.05 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -70.0 -23.14 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.279 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -74.5 -7.21 52.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -99.35 0.13 42.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 -178.876 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.771 0.32 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -80.06 -13.01 59.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -57.62 -40.58 79.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.2 p -73.36 -16.38 61.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -82.53 -44.78 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -78.0 -40.71 38.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.0 139.99 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.222 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -110.81 150.0 41.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.93 138.96 83.77 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.787 1.658 . . . . 0.0 111.187 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -139.94 -24.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.8 mt -69.38 -46.78 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.181 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -55.32 -55.93 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.89 79.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.227 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HG ' HD22 ' A' ' 127' ' ' LEU . 55.2 tp -56.71 -56.95 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.9 pt -75.94 -18.5 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 -171.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -73.2 -42.47 62.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -67.42 -28.22 67.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -113.14 41.47 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.212 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.7 p -85.15 0.47 51.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.228 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -100.0 29.96 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -99.98 130.07 46.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.145 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -88.78 -168.62 2.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -68.24 122.99 19.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 69.12 25.15 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.01 135.01 90.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -49.44 140.47 27.44 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.722 1.615 . . . . 0.0 111.178 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.7 p -69.91 167.51 17.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.44 129.51 4.73 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -64.33 133.65 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.4 t -118.4 -57.58 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 mp -106.15 121.51 45.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.197 -174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -55.19 155.01 20.79 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.691 1.594 . . . . 0.0 111.229 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -70.32 148.39 48.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.2 mt -110.02 158.69 17.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.3 p -105.84 177.07 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.78 -42.33 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.67 -39.59 88.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -64.95 -42.73 94.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.63 -34.26 67.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.08 -43.28 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.234 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.2 mt -135.12 76.9 56.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -57.43 -38.28 94.79 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.676 1.584 . . . . 0.0 111.186 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -75.3 -10.06 59.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.4 mmm -99.86 2.41 43.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -113.36 108.6 52.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -53.56 -37.76 83.19 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.69 1.594 . . . . 0.0 111.284 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.7 m -52.49 -37.57 57.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.255 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.8 -48.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.62 -40.05 92.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -167.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.3 p -88.88 -5.03 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -169.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -120.09 117.37 32.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -68.64 -14.85 40.34 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.691 1.594 . . . . 0.0 111.19 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 95.6 m -63.57 -20.75 65.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -94.64 0.28 54.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.186 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -106.57 144.65 32.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.255 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.85 156.14 40.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -124.19 94.99 4.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 mm -65.67 130.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.184 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.0 p -100.54 -28.35 12.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -173.39 147.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -97.69 129.91 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 170.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -90.16 -56.29 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.168 -169.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -164.17 172.62 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.0 t -129.61 128.88 66.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.464 ' SG ' ' HE2' ' A' ' 140' ' ' LYS . 51.0 t -150.12 143.34 25.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -177.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 62.49 30.29 17.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 64.07 23.15 13.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.25 148.16 49.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.81 129.16 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -172.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 76' ' ' CYS . 82.3 m-85 -113.23 123.12 49.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 -173.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.59 -179.29 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 -173.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.0 m -122.43 138.96 54.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.243 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -113.98 134.53 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -105.43 134.56 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.251 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -116.79 -159.86 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p -61.18 -26.85 67.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.4 t -121.61 -67.22 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -123.73 -178.26 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -167.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -106.03 154.86 20.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 tt -139.85 140.1 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 175.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.7 144.46 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.1 p -135.02 140.09 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -119.85 117.57 28.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -94.17 123.44 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.559 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 72.6 p -69.46 165.81 20.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -174.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -58.35 -41.85 85.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.218 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.13 -35.43 78.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.8 t -56.27 -52.63 63.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 174.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.12 -43.82 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.222 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -56.6 -50.05 73.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.39 -45.64 90.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.211 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -51.55 -46.69 63.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.46 -39.99 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.89 -36.32 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.1 m -76.94 -53.19 8.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.406 ' NE2' ' OG1' ' A' ' 161' ' ' THR . 92.8 m-70 -101.36 -3.26 29.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -167.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.23 41.56 31.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.6 p -160.74 170.97 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.43 155.26 38.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 13.8 tt -67.87 -13.98 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 66.6 p -92.45 -5.15 52.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.0 t -99.38 126.19 45.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 59.91 41.28 18.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.9 p -128.11 -9.77 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.8 p -98.64 -20.8 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 171.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -95.95 1.36 52.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 58.1 m -133.9 172.48 12.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' A' ' 166' ' ' ASP . 98.5 mt -87.4 140.32 29.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.2 tpp -96.29 131.24 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.252 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.6 mm -104.35 130.36 55.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 97.2 mt -101.47 137.27 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.276 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.2 149.71 20.62 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 173.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.4 t0 44.32 73.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.338 . . . . 0.0 111.224 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -131.33 136.68 48.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -115.61 146.74 41.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.425 HD22 ' HG ' ' A' ' 25' ' ' LEU . 53.9 tp -83.01 126.63 32.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 171.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.86 138.08 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -93.51 126.05 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.266 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.49 132.49 62.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 72.7 p -87.48 166.08 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -50.65 -45.28 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.6 t -57.07 -51.59 68.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.24 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -68.54 -29.93 68.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.25 77.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.21 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.9 mtm -78.63 -30.22 46.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.266 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 73.3 m -82.65 -37.13 25.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -110.32 -52.81 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -171.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.88 -19.05 60.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.464 ' HE2' ' SG ' ' A' ' 76' ' ' CYS . 74.1 mmtt 64.83 34.17 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.0 tt -159.58 127.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.9 t -63.76 144.96 56.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.32 -17.57 60.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 87.3 p -74.41 -8.9 57.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.08 -9.86 32.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.7 pt -126.42 -17.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.4 p -147.46 -179.99 7.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.225 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.8 p -100.57 9.56 42.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 172.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.52 154.51 25.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.174 -174.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -97.7 9.95 41.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.0 tt -156.51 129.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.18 153.63 78.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.76 140.0 37.96 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.703 1.602 . . . . 0.0 111.191 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 89.2 t -132.52 140.2 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 91.8 mt -89.64 112.13 23.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -93.39 100.61 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.9 t -101.76 124.02 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.211 -169.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -99.96 -20.01 16.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -136.31 142.3 43.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -148.68 151.42 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.257 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.406 ' OG1' ' NE2' ' A' ' 107' ' ' HIS . 13.4 t -159.33 -179.7 8.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.202 174.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 97.2 mt -103.68 136.66 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 119' ' ' LEU . 68.5 t80 -91.0 -67.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.204 176.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -158.46 160.38 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.6 mt -77.47 79.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -174.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.432 ' HB3' ' HG ' ' A' ' 119' ' ' LEU . 68.0 t0 -117.38 107.25 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.259 169.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -60.0 139.98 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -171.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 91.3 t -112.24 140.13 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -61.66 152.03 42.86 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 85.4 p -70.33 161.31 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 111.166 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.86 123.57 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 65.5 m -120.79 167.26 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 40.6 p -78.55 66.05 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.271 -177.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -109.48 149.97 40.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -58.11 147.3 84.04 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.723 1.616 . . . . 0.0 111.196 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -90.43 172.82 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 35.5 m -74.87 5.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.237 -172.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -56.37 -24.61 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -67.87 -16.8 64.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -109.99 11.67 23.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--O 1.201 -1.47 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -178.695 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.802 0.334 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.8 p -112.98 14.04 19.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -55.27 137.96 46.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.3 p -81.51 -7.89 59.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.37 -25.8 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -116.91 5.23 12.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -102.94 29.52 5.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.214 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -106.99 154.05 40.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.62 142.1 90.82 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.696 1.597 . . . . 0.0 111.246 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -141.04 -20.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 176.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.85 -40.67 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -53.65 -59.83 4.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.256 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.57 94.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.41 -51.21 63.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.278 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.5 mm -83.26 -35.45 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -174.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.38 -40.06 77.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.9 -11.2 59.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -125.65 39.61 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.0 p -77.51 -19.96 55.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -82.7 61.35 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -100.04 160.03 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 -176.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -103.39 176.04 5.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.257 172.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -65.99 112.45 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.9 t80 63.83 62.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -109.94 104.74 56.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -174.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -79.51 149.87 21.59 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.677 1.585 . . . . 0.0 111.172 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -129.89 -163.46 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.228 173.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.79 -161.46 35.44 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 96.9 m-70 -80.05 142.9 34.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.174 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.51 -15.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.203 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.9 mt -113.74 127.58 26.67 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -53.05 145.34 42.45 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.736 1.624 . . . . 0.0 111.237 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.4 p -76.45 159.93 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.9 mt -117.34 158.21 24.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 177.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.6 p -110.36 175.99 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 176.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.25 -40.83 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.41 -38.19 90.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -69.41 -38.0 77.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.2 -39.54 86.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.99 -43.33 71.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.65 70.47 79.27 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -175.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.33 -25.64 30.38 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.669 1.579 . . . . 0.0 111.204 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -80.06 -4.92 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.6 mmm -110.23 13.04 23.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -113.92 109.16 50.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -55.16 -32.39 79.91 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.664 1.576 . . . . 0.0 111.253 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.4 p -66.37 -20.05 65.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.266 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -97.6 -40.11 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.73 -39.71 94.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.252 -173.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.0 p -114.95 37.26 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -172.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -143.7 109.89 5.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.257 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -55.2 -30.2 70.28 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.738 1.625 . . . . 0.0 111.19 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.02 -15.71 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.189 -175.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -99.84 26.82 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.208 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -136.45 129.12 30.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.201 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.98 159.17 44.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.176 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -115.45 129.99 56.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.7 mt -79.74 134.06 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.4 p -107.74 -42.57 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.179 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -176.17 145.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 82' ' ' ALA . 88.1 m-85 -99.67 146.99 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.197 172.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.96 -47.23 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -132.3 100.56 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.251 -174.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.1 t -104.44 112.29 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -177.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 76.6 m -129.69 159.91 34.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.223 175.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -53.13 105.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 60.3 38.87 19.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 88.4 tttt -165.95 86.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.224 176.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.9 t -119.94 137.53 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -170.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.62 131.92 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 72' ' ' PHE . . . -145.46 -177.33 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.185 -174.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.2 t -121.85 142.16 50.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 175.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.4 pt -137.83 166.68 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -148.51 159.76 43.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.141 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -103.77 -141.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.2 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.7 m -91.81 9.62 31.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.6 t -143.45 -68.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -111.98 166.83 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 -166.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -124.2 138.87 54.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.6 pt -137.68 178.88 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.2 mt -106.06 157.08 17.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 172.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.53 139.86 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -106.36 135.83 47.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.147 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.25 111.14 23.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.3 p -72.28 165.98 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -55.92 -40.92 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.24 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.24 -43.14 98.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.276 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.5 t -58.08 -55.42 35.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.31 -41.19 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -62.4 -51.25 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.47 -44.86 93.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.02 -41.38 71.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 174.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.09 -41.1 86.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -177.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.82 -41.16 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.2 m -74.16 -47.96 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.272 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -104.01 -4.47 23.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -168.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.01 42.28 31.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.191 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.13 172.37 14.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -80.04 152.94 29.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.2 tp -60.5 -19.98 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.2 p -97.54 -16.35 20.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.6 t -57.79 97.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -168.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 53.56 42.39 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.422 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 81.4 p -109.6 -6.28 15.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.257 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.9 m -55.28 -36.1 65.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.247 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -112.08 28.09 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 70.8 m -116.48 170.7 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 166' ' ' ASP . 82.1 mt -99.78 153.67 18.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 58.9 ttp -131.47 139.99 49.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -170.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 95.5 mt -105.95 114.45 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 172.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 95.4 mt -93.08 134.79 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.19 148.55 19.97 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.0 t0 51.29 70.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.151 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.24 113.46 25.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.492 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 11.1 t0 -82.14 123.56 29.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 60.4 tp -88.37 121.73 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.6 m -139.65 143.4 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -91.53 131.57 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.222 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.86 159.99 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.4 p -90.09 164.64 14.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.17 -173.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -49.96 -41.7 47.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.4 t -55.78 -50.16 71.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.0 mmt180 -61.14 -38.08 85.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.29 79.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 99.0 mtp -82.31 -33.18 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.4 t -70.21 -48.97 54.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.231 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -108.86 -46.81 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -80.52 -19.46 45.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 64.12 39.92 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 141' ' ' ILE . 16.7 tt -148.65 120.06 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.5 t -66.53 134.67 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.44 -20.0 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 87.7 p -58.86 -24.17 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.188 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.04 20.73 17.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.577 ' O ' HG12 ' A' ' 146' ' ' ILE . 21.3 tt -169.35 30.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -177.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.7 p -160.94 169.58 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.262 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 88.1 p -110.22 -10.1 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 169.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -132.56 159.98 37.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -83.36 -2.4 55.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.3 -174.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.47 124.77 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -133.58 149.85 73.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 -171.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.47 141.73 16.0 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 121.729 1.619 . . . . 0.0 111.18 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.32 160.02 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.265 172.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.9 mt -109.8 122.6 47.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.261 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -91.88 103.62 16.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 171.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.4 t -94.75 131.8 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -169.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -105.39 -24.11 12.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -126.96 135.39 50.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -157.6 139.0 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 81.0 p -124.92 155.43 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 162.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 82.8 mt -135.06 130.01 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -134.71 152.59 51.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -96.66 40.14 1.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.204 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 98.0 mt -58.1 -42.21 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.425 ' HB3' HD11 ' A' ' 119' ' ' LEU . 67.3 t0 -134.91 117.11 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.19 129.92 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -176.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 85.7 t -91.33 139.88 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -82.77 -146.84 6.49 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 86.3 p -69.77 166.31 19.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.85 0.357 . . . . 0.0 111.18 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.84 110.03 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 93.3 p -78.16 160.41 28.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 73.9 p -125.85 55.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -75.98 153.54 84.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -53.46 109.94 0.43 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 121.625 1.55 . . . . 0.0 111.18 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -69.96 159.92 32.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.98 -13.28 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -72.28 -13.45 61.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -80.72 -27.29 36.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -117.68 43.46 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 -167.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -177.551 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.5 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.796 0.332 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -80.38 -11.49 59.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.6 -31.37 66.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.3 p -61.39 -20.0 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.231 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.53 -42.43 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -110.94 -1.61 16.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.253 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.5 mt -103.31 77.33 1.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -119.4 159.41 45.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.72 121.71 9.67 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.756 1.637 . . . . 0.0 111.125 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -140.24 -24.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.6 mt -65.52 -40.71 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -63.09 -54.44 37.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.34 79.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -53.75 -56.68 15.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -83.1 -27.52 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 -175.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.36 -39.99 77.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 174.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -88.16 -11.51 46.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -128.94 48.76 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.3 m -69.95 -20.24 63.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.255 -174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -79.47 73.66 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -70.16 -16.85 63.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.251 -173.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -91.07 -11.22 39.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -110.06 -29.96 7.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -61.59 144.32 54.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.201 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -52.29 128.89 41.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -53.65 -37.58 83.7 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.657 1.571 . . . . 0.0 111.234 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.9 m -113.3 26.56 10.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.79 146.06 42.79 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.48 145.17 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.327 . . . . 0.0 111.231 -172.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -94.98 -49.88 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.8 pt -127.79 156.1 76.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.49 155.04 22.27 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.753 1.635 . . . . 0.0 111.183 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.4 t -76.4 127.88 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.6 mt -87.77 156.6 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.6 p -108.07 177.61 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.23 -35.31 73.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.176 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -67.22 -37.88 84.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -69.12 -39.35 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.05 -32.73 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.37 -41.12 66.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 175.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.9 mt -133.94 70.64 74.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 -175.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.7 -25.08 34.3 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.69 1.593 . . . . 0.0 111.242 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -80.03 -4.23 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.238 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.5 mmm -110.07 14.92 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.6 t -122.74 102.65 38.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -55.33 -32.27 80.54 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.709 1.606 . . . . 0.0 111.189 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.8 p -63.41 -23.7 67.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.226 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 121' ' ' ILE . 89.2 mt -91.03 -46.21 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.191 172.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.06 -38.12 81.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.291 -171.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.6 p -101.84 25.52 8.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.25 -170.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 58.0 t-20 -146.35 106.5 4.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -56.26 -24.8 52.82 Favored 'Trans proline' 0 C--N 1.327 -0.553 0 C-N-CA 121.769 1.646 . . . . 0.0 111.174 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.417 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 71.9 m -71.9 -8.53 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -172.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -96.7 2.95 52.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.78 139.91 45.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.58 137.18 31.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -118.74 107.8 14.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 69' ' ' ILE . 1.3 mp -78.25 122.33 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -174.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -92.83 -22.44 19.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -171.43 139.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -93.02 134.61 34.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 164.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -111.76 -41.83 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -173.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' HB3' ' HB2' ' A' ' 81' ' ' TYR . 43.6 t30 -140.68 100.52 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.19 -177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.2 t -108.56 115.69 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . 86.7 m -130.04 -175.61 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -57.76 95.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' A' ' 97' ' ' GLN . 18.1 m-30 60.25 30.13 19.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 76' ' ' CYS . 93.6 mttt -140.04 90.08 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -108.41 129.03 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.415 ' HB2' ' HB3' ' A' ' 74' ' ' ASN . 81.8 m-85 -119.77 121.32 38.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 175.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.48 -171.67 3.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -174.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.2 p -134.64 147.13 50.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 171.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.4 pt -127.25 146.46 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.237 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 -133.59 120.05 20.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -83.24 -149.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.211 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.5 m -88.11 9.99 20.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -137.1 -70.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -120.88 153.85 36.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 -165.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -103.7 145.02 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.5 tt -141.23 145.48 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.421 ' HB2' HG22 ' A' ' 154' ' ' VAL . 95.5 mt -70.36 146.42 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.57 138.42 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -177.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -120.05 130.52 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -104.57 125.44 50.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 64.7 p -72.24 168.37 18.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -171.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.444 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 66.9 tt0 -56.99 -46.41 82.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 174.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.06 -40.03 95.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.8 t -55.35 -58.28 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.18 -36.6 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 t -58.86 -50.05 75.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.12 -46.72 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -51.76 -45.5 63.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.81 -47.03 82.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.26 -37.06 85.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.5 m -70.09 -50.03 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 96.8 m-70 -102.17 -8.69 21.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.222 -168.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 49.89 47.0 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 24.9 p -159.72 176.88 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.01 162.69 16.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.5 tp -64.04 -19.96 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 63.3 p -97.62 -16.75 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.4 m -56.1 95.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -169.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' A' ' 118' ' ' CYS . 96.7 mt-10 51.76 40.72 28.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 80.7 p -102.0 -5.98 23.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 91.5 m -56.1 -39.78 72.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -109.03 26.32 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 114' ' ' GLU . 72.3 m -116.43 169.93 8.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.22 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.412 ' HB3' ' HB ' ' A' ' 165' ' ' ILE . 55.1 tp -113.94 124.92 53.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.182 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.46 ' SD ' HD11 ' A' ' 69' ' ' ILE . 55.5 ttm -85.57 141.39 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 59' ' ' ILE . 43.8 mm -109.78 124.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.221 166.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.4 pt -113.4 152.8 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -172.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.61 162.49 30.76 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 45.1 t0 48.85 71.14 0.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 111.252 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.32 134.59 52.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -105.67 135.17 47.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.8 120.83 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.425 HG23 ' HB ' ' A' ' 154' ' ' VAL . 27.9 m -138.32 -162.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.242 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -154.01 164.97 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.4 p -136.63 140.06 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.7 p -85.33 170.02 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.289 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -52.48 -59.65 4.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 m -63.73 -42.67 97.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.201 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 61.8 ttt85 -62.87 -43.27 99.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.52 69.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 97.3 mtp -72.28 -26.34 61.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.8 p -96.67 -20.04 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -109.53 -53.76 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.22 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 73.8 m-85 -89.21 -18.73 26.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 86.8 mttt 69.39 31.35 3.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 -172.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 89.2 mt -131.06 121.41 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 44.2 t -75.66 133.22 40.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 166.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 85.6 mt -101.83 -37.89 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -169.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 90.4 p -74.13 -10.41 59.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -109.56 5.05 22.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.3 pt -127.49 -20.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.218 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.4 p -134.54 179.99 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 67.0 m -85.84 -4.56 59.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -118.49 134.16 55.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -75.4 -11.81 60.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 174.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 97.4 mt -124.02 137.4 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.1 t -128.51 133.27 24.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -65.27 145.52 83.99 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.583 1.522 . . . . 0.0 111.268 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.425 ' HB ' HG23 ' A' ' 128' ' ' VAL . 79.1 t -130.39 143.35 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 -176.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 87.4 mt -96.71 117.5 31.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -92.11 98.47 11.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 88.0 t -94.69 123.76 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.24 -170.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -99.95 -20.04 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -130.02 136.11 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 174.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -152.51 145.87 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 161' ' ' THR . 15.2 t -156.7 128.67 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.233 176.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 91.4 mt -109.75 129.57 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -169.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.33 149.96 52.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -75.13 74.98 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.197 -178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 87.8 mt -102.92 -50.37 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 -178.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -138.87 119.01 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -173.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -59.69 140.91 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 67.3 t -92.18 140.89 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.04 -160.17 9.39 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.0 p -76.23 168.16 20.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.235 -174.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 47.5 tp -84.91 124.58 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 59.5 p -71.51 161.26 31.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 89.8 m -75.17 -31.01 60.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.214 -174.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -162.36 153.25 14.69 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -55.28 156.58 16.48 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 C-N-CA 121.711 1.607 . . . . 0.0 111.154 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -122.98 -17.02 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 -174.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.85 -23.19 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -59.04 -23.32 61.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.29 -19.4 54.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.125 -172.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -127.09 65.08 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -174.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.797 0.332 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.4 p -94.24 -4.03 49.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.191 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -53.09 133.1 38.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.6 m -58.96 166.28 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -54.39 -46.67 70.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -76.85 -7.69 55.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.219 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -98.31 0.12 44.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -67.81 157.18 87.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -63.94 143.18 84.65 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.727 1.618 . . . . 0.0 111.233 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -141.04 -23.93 0.75 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.223 -176.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.12 -55.87 18.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.98 -39.93 72.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.13 75.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.63 -30.34 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.46 -49.93 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -61.21 -40.21 93.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.225 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.26 -25.7 67.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.225 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -119.46 33.26 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.219 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -88.6 8.63 27.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.178 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -99.96 30.64 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -110.44 -179.1 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.215 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -91.67 171.29 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -68.78 127.8 34.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 60.03 57.69 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 -171.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -137.42 89.92 15.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -174.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -55.92 145.98 70.62 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.654 1.569 . . . . 0.0 111.258 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -107.82 -169.98 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.05 -166.62 34.0 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 84.2 m-70 -69.66 138.7 53.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 111.194 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.44 -19.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 -177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.417 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 83.8 mt -120.03 115.23 33.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 171.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -55.51 155.41 21.17 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.698 1.599 . . . . 0.0 111.165 -176.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.8 p -76.33 159.14 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt -109.87 149.46 29.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 p -80.81 173.99 12.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -55.73 -44.7 77.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.81 -41.9 86.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.72 -40.88 98.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.35 -33.18 71.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.52 -45.83 91.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.217 176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.7 mt -139.38 75.69 32.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.232 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -59.14 -35.53 97.62 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.716 1.611 . . . . 0.0 111.219 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -81.66 -0.17 41.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 96.4 mmm -114.77 8.54 16.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -106.74 112.55 63.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -55.12 -36.19 92.43 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.714 1.61 . . . . 0.0 111.265 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.5 p -65.21 -22.84 66.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.3 mt -90.47 -43.88 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.238 173.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.51 -30.29 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.21 -172.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 73.5 p -98.28 15.69 23.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -140.16 111.21 7.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.18 -15.4 31.87 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.693 1.595 . . . . 0.0 111.222 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.2 m -65.3 -23.13 66.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -88.04 -1.85 58.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -109.58 156.01 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.32 156.81 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -127.81 103.51 7.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.8 mt -71.83 128.66 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.21 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.1 p -106.01 -27.24 11.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -175.27 140.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.241 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -102.76 159.97 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -106.82 -55.59 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.23 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -179.61 -171.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -171.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.96 156.88 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . 41.9 t -162.71 137.49 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.237 176.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 55.33 37.31 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 65.51 22.89 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -117.04 155.0 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.6 t -108.91 133.99 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 76' ' ' CYS . 92.5 m-85 -120.97 120.43 35.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.14 -175.86 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.239 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 m -122.29 140.19 52.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.202 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.6 pt -125.0 170.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 176.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.443 ' HB3' ' HG3' ' A' ' 90' ' ' GLN . 37.9 ptt180 -153.14 170.63 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 172.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -132.79 -149.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.8 m -57.84 -28.75 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -98.91 -109.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -110.88 -174.44 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 -167.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.443 ' HG3' ' HB3' ' A' ' 85' ' ' ARG . 26.4 mp0 -94.9 165.75 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -173.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.1 tt -160.0 144.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.49 ' HB2' HG22 ' A' ' 154' ' ' VAL . 90.0 mt -66.8 145.58 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.3 p -135.96 148.45 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.19 139.84 39.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.232 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -111.08 126.35 54.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.493 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 59.5 p -63.89 161.91 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -173.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -56.26 -41.07 75.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.09 -39.9 90.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 96' ' ' SER . 39.5 t -58.19 -46.82 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.52 -49.67 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.4 m -56.39 -50.28 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.177 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.62 -49.23 71.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -52.44 -45.71 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.95 -40.36 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.71 -39.04 92.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.5 m -73.34 -50.05 24.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -104.62 -4.49 22.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -168.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.83 41.09 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.0 p -159.32 166.88 30.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -88.66 159.51 17.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 111' ' ' ILE . 97.4 mt -78.48 -5.77 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 81.3 p -100.93 -6.28 24.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 174.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.4 t -101.27 108.35 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -174.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 59.74 43.66 15.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 173.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.5 p -113.34 -12.31 13.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.0 p -81.54 -10.91 59.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -170.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -124.21 20.02 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 77.4 m -126.81 165.11 19.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 60.3 tp -95.26 120.86 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 92.1 mmm -90.86 149.1 22.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.199 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 77.1 mt -126.63 111.44 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.242 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.0 pt -114.04 160.02 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 -170.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -155.37 165.06 32.26 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.1 t0 53.18 54.78 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.163 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.417 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . . . -115.83 138.05 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 11.0 t0 -114.49 134.39 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -176.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.6 tp -86.15 122.5 30.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 32.9 m -130.19 173.01 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -120.81 132.79 55.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 93.1 t -118.53 136.04 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.0 p -81.95 168.55 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.27 -40.41 86.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 99.8 p -70.08 -39.65 75.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.268 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.59 -29.85 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.222 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.83 -16.85 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 99.2 mtp -88.91 -25.64 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 92.8 p -92.02 -19.91 21.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.2 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -102.56 -65.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -89.57 -18.27 26.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 87.5 mttt 64.98 36.91 7.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.6 tt -151.46 128.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.4 t -59.96 143.24 52.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.247 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.57 -3.69 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.8 p -66.34 -19.78 65.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 170.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -103.69 9.74 37.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.277 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.4 mm -119.62 -40.65 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.8 p -143.98 -177.66 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.223 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.2 p -88.3 -0.35 57.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.72 -179.97 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -98.12 32.25 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.159 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 151' ' ' ILE . 16.2 tt -145.8 121.38 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.96 130.2 18.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.65 144.39 44.27 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.748 1.632 . . . . 0.0 111.21 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' A' ' 92' ' ' LEU . 62.7 t -133.47 141.01 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 155' ' ' LEU . 4.2 mm? -89.95 112.52 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -92.43 99.55 12.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 99.4 t -92.19 140.19 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -171.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -114.71 -31.34 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -120.68 136.93 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 172.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -150.39 135.25 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 64.7 p -131.22 169.11 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 166.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.16 134.52 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -139.35 145.27 38.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -82.01 67.77 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 94.8 mt -100.25 -48.3 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.272 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -134.4 111.36 10.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.44 130.28 46.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.64 139.16 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.206 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.0 166.6 54.49 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 88.2 p -76.78 162.2 27.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.271 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.52 138.44 56.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 60.1 p -68.72 -178.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 81.9 p -77.14 -13.6 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.227 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -160.04 112.98 1.43 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -55.1 144.24 70.38 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.677 1.585 . . . . 0.0 111.196 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -103.91 27.14 7.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.77 -21.69 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -65.0 -17.09 64.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.51 -16.7 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -96.63 -2.94 43.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.203 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.214 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.3 p -103.75 16.92 25.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.34 147.77 39.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.5 p -68.1 -16.76 64.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 -173.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 m -69.68 -14.94 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -98.83 4.3 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.8 mt -95.91 73.18 3.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.84 156.81 72.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.61 130.17 32.5 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.698 1.599 . . . . 0.0 111.213 178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 64' ' ' CYS . 8.8 t90 -142.58 -35.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.03 -42.49 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.92 -43.68 94.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.72 95.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.15 -37.02 85.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.234 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.77 -48.14 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.241 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.25 -39.47 79.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.51 -22.63 67.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.243 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -109.99 11.68 23.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.5 t -103.73 146.45 28.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -154.92 167.49 30.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.252 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -73.84 -19.95 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -85.02 171.75 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 176.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -55.05 127.63 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.226 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -61.0 155.18 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -73.33 133.35 80.88 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -48.09 -39.17 33.35 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.654 1.569 . . . . 0.0 111.272 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.8 p -130.1 40.03 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.85 102.0 0.04 OUTLIER Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -64.09 125.67 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 0.0 111.187 -175.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -110.13 -58.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.6 mt -107.54 129.4 24.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.229 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -53.51 149.24 31.5 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.7 1.6 . . . . 0.0 111.165 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -76.57 139.58 40.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.5 mt -102.28 148.74 25.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.268 173.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.8 p -88.73 173.97 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.26 -42.15 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.235 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.87 -41.01 88.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -68.36 -42.93 78.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.6 -39.92 73.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.06 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.9 mt -130.91 71.44 82.4 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.34 -28.36 33.22 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -76.47 -7.72 55.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.242 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.4 mmm -104.79 16.21 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -133.78 82.58 49.75 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.206 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 88.7 Cg_exo -53.86 -31.22 61.5 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.776 1.651 . . . . 0.0 111.184 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.3 m -51.27 -40.46 58.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 pt -101.48 -18.45 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.257 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 86.2 mt -66.13 -23.71 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 173.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.5 p -96.82 6.35 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.614 ' HB3' ' SG ' ' A' ' 64' ' ' CYS . 96.8 m-20 -115.09 105.56 52.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 41.6 Cg_endo -69.2 -14.14 37.34 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.753 1.636 . . . . 0.0 111.152 -175.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.614 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 32.0 p -66.4 -16.87 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -102.65 5.21 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -109.96 132.39 54.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.68 142.65 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -110.29 120.14 41.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.1 mt -83.94 129.97 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -109.71 -34.31 6.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.215 -171.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -169.96 143.2 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 96.7 m-85 -100.11 147.34 25.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 168.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -105.44 -57.63 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -170.99 164.82 7.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -174.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.5 t -122.86 92.85 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.4 m -103.66 145.09 30.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 56.75 35.42 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 61.66 23.63 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.95 141.43 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 92.5 t -92.88 133.27 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.244 -175.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -119.85 121.54 39.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.232 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . . . -144.97 -174.57 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 -172.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.4 t -128.4 138.68 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.236 173.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.9 pt -129.53 168.73 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -145.19 160.01 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -110.16 -142.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.212 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.3 m -87.71 5.59 39.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -174.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t -146.67 -63.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.204 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -108.91 167.24 10.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -165.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -125.64 144.66 50.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.268 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.1 tt -149.69 150.14 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -175.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.6 152.49 42.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 p -138.3 141.22 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -111.28 153.35 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 171.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.436 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 88.8 m-85 -123.15 118.18 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.226 171.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 72.5 p -66.07 164.05 16.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.284 -176.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -58.61 -37.51 76.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.249 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.16 -42.0 94.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.8 t -59.67 -45.43 92.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.33 -52.75 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.232 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.5 m -57.64 -49.93 74.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.214 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.77 -46.18 90.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -56.71 -42.83 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.85 -40.7 91.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.232 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.31 -39.68 95.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.3 m -73.03 -49.33 29.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -104.05 -4.72 22.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -167.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.24 37.12 28.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 30.9 p -163.09 168.26 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.93 157.16 26.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.55 -27.66 43.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.4 p -85.16 -14.0 48.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 t -86.41 113.32 22.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -170.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.05 46.22 11.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 173.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.533 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 42.1 p -137.8 0.21 2.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.255 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.8 m -57.94 -29.87 65.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -125.69 22.07 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 90.3 m -102.43 173.61 6.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -175.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.1 tp -102.41 121.6 42.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 48.4 ttp -89.95 129.98 36.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.4 mm -101.33 107.74 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 168.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.62 139.96 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -164.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -115.9 -124.45 3.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -49.99 117.04 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 111.203 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.46 144.49 27.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.21 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -118.12 164.36 15.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 53.0 tp -93.89 126.73 39.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.13 124.95 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -84.34 137.47 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.262 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 20.9 m -123.98 151.2 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 50.2 p -86.86 167.52 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -51.13 -43.5 61.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.3 t -59.16 -49.61 77.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.89 -34.46 77.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.91 -39.34 79.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 79.0 mtm -74.12 -28.29 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.0 t -75.23 -59.88 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -89.9 -43.4 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -91.99 -20.26 21.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.224 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 65.63 31.78 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 31.7 mm -129.97 118.9 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 t -67.48 134.36 51.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.233 174.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 78.1 mt -79.89 -23.64 41.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.275 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.6 p -63.81 -19.81 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.264 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -97.36 -9.58 27.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.255 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.4 pt -129.97 -5.39 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 33.4 t -152.95 154.66 35.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 96.6 p -86.42 -4.05 59.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.92 157.11 27.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.249 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -96.1 16.24 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.85 127.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.5 m -134.21 152.88 79.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 -171.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.86 139.9 22.61 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.697 1.598 . . . . 0.0 111.201 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 96.0 t -132.44 139.85 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.187 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 49.7 tp -87.27 111.64 21.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -96.19 116.11 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.5 t -91.03 130.0 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.251 -172.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -101.45 -42.37 6.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -132.09 131.87 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -170.53 150.23 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 46.7 p -128.72 159.91 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.204 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 74.5 mt -127.47 130.99 70.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -174.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -130.13 150.45 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -80.85 68.02 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 95.6 mt -101.8 -51.97 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.294 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -123.73 117.94 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -64.52 129.83 41.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 55.6 t -109.3 143.68 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.254 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.96 -164.8 27.94 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 86.6 p -85.03 175.5 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -174.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.13 130.45 44.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 65.0 m -72.48 155.4 40.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 175.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 93.7 m -49.4 -42.36 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 -173.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -152.93 143.99 16.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.37 117.93 4.48 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.732 1.622 . . . . 0.0 111.203 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -77.83 -18.08 56.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 -170.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.46 -31.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.231 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 178' ' ' TYR . 4.5 m-30 -80.74 -16.96 52.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.226 -178.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.33 -36.82 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -176.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -110.44 23.18 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 -179.437 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.833 0.349 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.9 m -67.37 123.89 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.03 150.11 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.4 p -60.12 -20.54 58.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.68 -40.5 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -105.6 -16.09 14.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.8 tp -86.87 118.8 26.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -99.09 159.22 30.73 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -55.48 149.32 48.16 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.738 1.625 . . . . 0.0 111.148 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -129.26 -40.37 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.22 -43.41 88.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.55 -35.7 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.35 -17.92 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.58 -18.44 62.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -51.01 -39.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.97 -33.9 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -97.01 -21.25 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -77.18 -29.91 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.8 p -58.02 -25.23 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.2 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.08 59.98 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -53.92 -41.3 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -170.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -106.65 -0.92 23.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -172.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -118.82 -10.83 9.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -173.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -76.04 140.46 41.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -55.93 130.09 72.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.236 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -54.09 -33.64 74.68 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.65 1.567 . . . . 0.0 111.199 -176.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.4 m -123.15 32.62 5.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.213 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.72 115.98 7.98 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -72.7 139.42 47.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.0 m -127.75 -15.92 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.251 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 86.4 mt -123.97 119.04 26.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.278 172.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.94 157.1 13.78 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.797 1.665 . . . . 0.0 111.225 -177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -74.06 133.99 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.215 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -108.18 162.56 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.214 172.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.8 p -118.7 170.79 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -50.26 -39.9 46.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.33 -27.14 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.219 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -82.95 -41.71 18.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 159' ' ' GLN . 94.8 mt -68.98 -33.15 73.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.91 98.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 mt -136.82 75.94 48.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -58.45 -35.27 98.88 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.625 1.55 . . . . 0.0 111.234 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -75.92 -9.51 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.4 mmm -99.87 2.6 43.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.433 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 26.6 t -113.06 107.61 54.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.248 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 56' ' ' SER . 60.1 Cg_endo -65.83 -26.83 51.98 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.65 1.567 . . . . 0.0 111.242 175.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 m -59.38 -42.02 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.9 mt -74.65 -47.75 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.6 -38.95 93.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -169.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 p -92.12 3.97 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -171.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -126.38 109.02 23.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.82 -23.0 31.89 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.801 1.667 . . . . 0.0 111.134 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.5 m -48.31 -36.29 13.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.193 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -99.48 15.54 26.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -114.23 132.87 55.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.245 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.8 139.9 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -112.11 113.74 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.286 174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.13 134.48 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.6 p -113.32 -36.91 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -169.93 149.61 3.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 96.3 m-85 -108.86 150.06 28.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 169.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -104.41 -59.09 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -169.97 178.84 3.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.95 112.14 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.206 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.77 144.17 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 55.9 34.95 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.176 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 63.7 24.35 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -125.16 140.37 52.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.5 t -95.66 130.81 43.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.241 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -114.64 117.01 29.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . . . -144.78 179.55 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.212 -170.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.8 m -128.43 146.88 50.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 172.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.5 pt -131.27 169.67 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.504 ' HD2' ' O ' ' A' ' 88' ' ' SER . 61.7 ttp85 -139.97 164.86 28.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 173.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -119.09 -138.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.225 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -63.98 -26.95 68.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.504 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 49.9 p -137.03 -89.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 -173.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -81.5 162.05 23.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -162.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -101.13 163.5 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.8 tt -153.78 148.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.8 mt -83.2 146.31 28.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -130.07 136.62 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -121.31 124.55 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.225 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -93.88 124.37 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.207 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.6 p -66.7 160.01 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -174.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -56.16 -39.93 73.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.47 -44.61 93.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 96' ' ' SER . 49.0 t -55.11 -50.98 67.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.51 -50.38 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -56.32 -49.88 73.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.2 -47.09 78.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -52.69 -44.11 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.276 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.74 -24.95 66.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.79 -38.8 22.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.23 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 79.0 p -85.09 -24.41 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -174.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.492 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 54.8 m80 -109.96 -10.78 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.215 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 56.88 32.19 21.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 29.9 p -163.44 166.15 23.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.27 156.15 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.39 -25.57 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.4 p -83.31 -16.43 46.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.5 t -92.69 114.17 26.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -170.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 61.38 50.19 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.233 171.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 68.9 p -130.5 -9.81 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.9 m -57.69 -41.85 82.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.278 -171.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -106.81 24.71 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.6 m -115.26 165.01 13.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.22 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.9 tp -91.93 133.59 35.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 52.3 ttp -110.68 132.47 54.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -176.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.7 119.96 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 91.0 mt -103.14 142.96 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.252 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.11 156.76 26.2 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 46.4 t0 44.79 73.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 111.235 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . . . -134.8 139.22 44.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -131.25 153.57 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.8 mt -88.57 135.32 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.12 139.44 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.247 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -82.22 121.54 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -169.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.1 139.88 40.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.2 p -83.97 162.96 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -174.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -51.89 -47.06 64.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.1 t -57.61 -48.76 78.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.87 -30.11 70.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.41 -37.13 77.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.6 mtp -69.85 -39.28 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.3 t -72.59 -51.32 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -98.98 -49.57 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -167.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -77.73 -16.73 58.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 65.41 33.16 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.223 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 141' ' ' ILE . 19.5 tt -159.25 125.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.0 t -64.55 145.97 55.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.8 mt -75.71 -6.14 49.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.234 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 95.0 p -66.68 -19.28 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 171.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.45 10.73 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 176.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.9 mm -119.86 -49.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 77.1 p -152.33 -169.87 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.0 p -91.35 -0.85 57.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -100.36 160.03 14.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -109.99 -2.06 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.9 mt -138.5 121.27 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.218 171.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.1 m -135.84 143.38 44.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 -171.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.06 121.39 5.34 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.759 1.639 . . . . 0.0 111.218 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.3 157.58 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 42.1 tp -89.43 111.52 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -91.58 109.98 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 94.0 t -104.24 131.13 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -169.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -99.94 -40.11 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 173.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLN . . . . . 0.465 ' HB3' HD11 ' A' ' 50' ' ' LEU . 13.1 mm100 -114.25 137.12 52.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -159.49 148.8 18.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.0 t -147.44 157.31 43.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.9 mm -125.91 130.14 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -131.04 139.85 50.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -94.68 15.62 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.23 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.43 -45.3 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -114.54 111.59 21.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.18 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -71.29 150.05 45.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -121.72 163.03 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -75.02 157.75 50.48 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 84.3 p -84.88 179.92 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.181 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 44.9 tp -52.39 122.01 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 62.4 m -131.64 158.87 39.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 34.2 p -87.78 63.58 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 -171.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 175' ' ' PRO . 71.6 m-85 -96.69 144.75 28.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.25 173.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 174' ' ' PHE . 75.5 Cg_exo -58.09 145.09 93.64 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.744 1.63 . . . . 0.0 111.188 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -81.93 146.86 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.15 -15.96 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -65.14 -22.1 66.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.16 -5.14 29.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -110.02 11.08 24.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.142 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--O 1.201 -1.479 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 177.512 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.792 0.33 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.7 p -120.34 24.77 10.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.273 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -56.91 142.52 41.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.6 p -79.48 -4.02 49.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.7 t -57.05 -41.03 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -102.5 -0.2 32.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.72 19.96 13.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 175.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -64.72 155.02 83.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 173.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.44 152.42 82.0 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.694 1.596 . . . . 0.0 111.23 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -142.4 -17.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.2 -39.83 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.92 -39.89 82.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.98 93.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.79 -43.54 97.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.27 -46.82 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.227 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -46.36 89.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.16 -39.22 89.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -105.0 31.97 4.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -76.06 -18.02 59.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.14 29.23 7.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -80.43 160.06 25.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 36' ' ' HIS . 10.9 t0 -73.68 -179.91 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 177.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -50.51 94.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 57.46 38.36 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 33' ' ' ASP . 79.9 t60 -77.72 120.81 82.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.232 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.58 158.04 47.98 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.666 1.577 . . . . 0.0 111.206 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -123.67 170.29 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 -175.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.9 -157.01 6.62 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -63.02 134.25 55.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -120.9 -13.2 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.26 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.6 mt -117.37 130.27 24.77 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 173.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -53.18 147.08 36.49 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.697 1.598 . . . . 0.0 111.197 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.0 t -65.36 130.51 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 -176.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' HA3' ' A' ' 123' ' ' GLY . 10.4 tp -73.32 136.73 44.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 175.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.4 p -93.97 170.71 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.33 -37.9 88.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.46 -38.07 88.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -65.02 -44.42 89.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.6 tp -55.11 -49.87 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.94 -49.34 68.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.7 mt -136.9 79.46 38.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.24 -173.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.44 -28.91 31.94 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.663 1.575 . . . . 0.0 111.282 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -82.01 -3.6 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.267 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.4 mmm -110.5 16.88 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.222 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -133.4 124.51 18.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -53.07 -30.11 48.13 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.247 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.4 m -52.32 -33.99 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.221 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.7 mp -95.24 -46.7 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.81 -36.2 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.214 -167.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.0 p -105.67 12.41 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -126.81 106.48 22.77 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.35 -28.16 61.56 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.763 1.642 . . . . 0.0 111.154 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.61 -15.23 60.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -176.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -99.99 17.46 20.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -127.44 108.43 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.198 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.34 147.97 49.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.55 118.38 33.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.19 126.18 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.7 p -96.13 -29.14 14.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 -174.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -170.33 140.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.172 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -95.74 145.39 25.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -102.67 -55.02 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -174.9 164.02 3.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.22 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.26 117.22 50.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.245 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.92 138.61 50.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.176 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 55.04 35.87 25.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.206 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 63.09 28.07 15.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -122.53 122.88 39.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.0 t -83.34 134.09 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -120.71 121.74 38.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.72 -174.71 4.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.258 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.1 t -128.31 141.0 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.5 pt -131.88 156.3 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -139.65 160.21 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -112.23 -140.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.2 m -101.19 16.58 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.1 t -138.67 -65.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -128.07 174.44 9.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -172.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -130.3 139.51 50.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.224 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.1 pt -134.05 174.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.174 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' HB2' HG22 ' A' ' 154' ' ' VAL . 97.8 mt -90.08 156.54 18.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.203 169.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.5 p -139.85 145.39 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -135.35 143.67 46.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.418 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 88.8 m-85 -115.94 132.63 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -174.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 60.2 p -71.05 164.89 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.237 -176.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.89 -40.07 87.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.233 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.28 -42.96 99.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.9 t -56.24 -53.99 50.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.04 -42.48 95.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.255 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -50.48 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.213 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -63.39 -45.71 89.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.189 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.38 -52.16 64.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.173 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.62 -40.03 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.263 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -57.3 -46.72 82.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 83.4 m -75.26 -47.66 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 -175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -92.99 -10.03 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 -169.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 52.98 43.55 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.5 p -157.1 169.82 23.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -86.73 167.51 14.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.8 tp -66.01 -19.94 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 57.9 p -97.62 -9.62 26.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.7 t -96.29 123.21 39.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.236 -173.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 59.92 37.76 21.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.7 p -123.1 -18.21 6.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.192 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -61.46 -41.09 96.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.6 p-10 -98.33 20.87 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.94 169.83 14.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.26 140.91 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 172.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 56.8 tpp -89.14 130.17 35.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.83 113.19 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.2 mt -101.75 134.1 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.43 ' HA3' ' HB2' ' A' ' 45' ' ' LEU . . . -145.49 164.49 28.06 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.2 t0 49.69 62.46 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 111.097 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.92 145.09 45.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 -169.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.3 150.08 48.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 59.9 tp -104.29 120.61 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.1 m -132.69 -174.85 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -127.28 143.17 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.05 156.74 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -95.11 176.26 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -51.49 -52.37 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.216 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.6 p -66.71 -35.97 81.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -176.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -65.67 -34.24 77.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.3 -35.95 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.3 mtp -64.91 -32.0 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 41.6 t -77.55 -58.05 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -84.89 -53.4 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -171.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -81.71 -15.24 55.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 65.41 32.8 9.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.4 tt -156.24 129.04 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.1 p -69.79 159.63 33.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 82.5 mt -103.69 -38.0 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 70.4 p -65.51 -19.32 65.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -101.98 -8.23 21.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.3 mm -120.01 -59.69 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -175.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 148' ' ' SER . 89.9 p -84.45 -19.94 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 147' ' ' SER . 19.6 m 67.78 17.23 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -174.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -123.27 152.96 40.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -79.23 -44.43 21.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 42.4 mm -109.75 128.44 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.22 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 76.3 t -132.48 133.62 23.83 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -61.85 140.19 84.06 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.734 1.623 . . . . 0.0 111.203 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 92' ' ' LEU . 78.7 t -133.29 131.45 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.202 175.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 53.5 tp -93.32 114.42 26.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -91.53 120.01 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.198 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 80.6 t -115.86 118.84 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 -168.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -94.92 -23.17 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -135.27 139.95 44.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.203 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.09 152.76 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.0 t -148.78 -178.16 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.262 172.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 6.3 tp -143.11 140.7 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -169.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -153.58 140.15 18.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.257 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -72.51 110.45 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.206 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 91.3 mt -130.16 -49.52 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -151.15 121.68 7.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.26 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 65.8 tt0 -57.65 133.14 55.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 99.5 t -102.53 130.14 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -77.95 176.45 53.91 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 85.0 p -79.61 179.61 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 111.199 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 50.7 tp -57.55 128.12 35.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 97.2 p -149.56 170.03 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.207 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 88.3 m -56.77 121.92 10.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.279 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -160.01 136.59 6.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -51.28 140.99 41.12 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.709 1.606 . . . . 0.0 111.205 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -112.56 166.14 11.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.187 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 88.0 t -80.01 -44.83 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 172.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -65.88 -19.92 66.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.76 -32.92 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -119.4 26.77 9.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 52.3 tp . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -176.437 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.9 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.2 m -63.72 -29.21 70.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 175.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -90.07 -0.95 57.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -176.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.8 p -57.16 -32.06 66.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -177.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.3 t -57.57 -39.07 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -106.27 17.02 24.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.2 tp -94.46 108.63 20.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -127.71 157.07 74.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -51.06 116.64 2.78 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.701 1.601 . . . . 0.0 111.207 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -133.75 -22.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.64 -38.24 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -55.08 -52.14 64.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 172.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.36 88.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 tp -53.25 -51.72 61.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.245 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.39 -50.27 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.244 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.75 -44.22 85.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -171.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.72 -16.82 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -174.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -121.49 38.2 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.2 p -73.39 -18.38 61.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.256 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -84.65 79.9 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 176.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -69.24 -16.73 63.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.185 -173.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -86.81 -13.4 45.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -110.0 -19.47 13.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -54.0 127.01 24.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -60.93 130.7 91.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.27 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.15 -38.98 72.0 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.675 1.583 . . . . 0.0 111.181 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.8 m -116.26 26.3 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -177.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.72 69.39 3.05 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -48.54 135.22 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG23 HG13 ' A' ' 42' ' ' ILE . 33.4 m -100.0 -19.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -174.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.418 HG13 HG23 ' A' ' 41' ' ' VAL . 89.5 mt -120.35 117.31 31.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 171.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -54.57 154.88 18.55 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.747 1.632 . . . . 0.0 111.224 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -72.39 161.63 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -121.86 153.55 38.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.1 p -89.72 169.08 11.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.95 -39.93 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -69.61 -39.1 77.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.05 -50.02 74.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.202 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.5 mt -71.71 -30.07 65.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.5 mt -137.42 77.0 41.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.235 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -58.21 -37.77 93.98 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.697 1.598 . . . . 0.0 111.213 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -77.32 -10.12 59.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -174.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.6 mmm -101.09 -0.02 37.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -118.0 109.41 41.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -54.78 -32.16 75.46 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.695 1.597 . . . . 0.0 111.198 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 m -52.48 -33.18 43.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.9 mt -97.34 -49.33 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.2 tp -54.46 -47.17 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.214 -169.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.2 p -100.11 10.09 41.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.22 -168.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -123.65 107.25 31.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.39 -30.07 61.55 Favored 'Trans proline' 0 C--N 1.327 -0.589 0 C-N-CA 121.699 1.6 . . . . 0.0 111.236 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 96.6 m -68.95 -18.43 64.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -170.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -99.89 9.95 42.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -170.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -160.23 165.12 32.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 172.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.73 177.87 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 -173.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -110.94 142.85 42.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.252 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.4 mt -92.29 134.7 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -105.09 -37.35 6.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 179.63 143.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 82' ' ' ALA . 84.0 m-85 -97.54 136.78 37.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 167.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -100.46 -57.35 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -170.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -160.01 159.69 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -170.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.1 t -131.93 127.39 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 29.7 p -158.71 159.67 35.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 55.12 31.05 15.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 66.19 20.5 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -138.81 160.01 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.79 141.85 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -164.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -117.96 123.6 46.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 72' ' ' PHE . . . -147.12 -174.42 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 -175.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 t -131.88 143.9 50.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 174.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.1 pt -130.53 168.41 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.189 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -145.0 160.34 41.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.195 -175.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -130.78 -152.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 170.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.1 m -65.62 -25.63 67.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.246 -174.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.4 p -100.1 -110.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -102.47 -170.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -111.49 179.32 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -170.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 tt -160.08 146.74 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 173.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.21 144.32 53.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.248 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -135.0 137.12 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -118.34 119.84 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -93.69 117.0 29.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 80.8 p -65.23 163.86 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -173.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -55.36 -40.03 70.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.75 -45.76 93.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 96' ' ' SER . 49.5 t -56.79 -47.7 79.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 177.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.26 -49.64 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.248 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.6 m -57.29 -50.32 73.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.05 -48.52 75.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' A' ' 111' ' ' ILE . 37.6 t80 -53.91 -45.58 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.6 -39.97 76.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.11 -36.98 86.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 78.0 m -69.95 -50.04 45.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.7 m-70 -100.75 -6.22 25.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -170.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 54.78 40.42 31.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.237 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 28.4 p -161.48 170.0 20.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.36 144.08 33.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.2 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.412 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 15.7 tt -67.03 -19.9 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.206 -179.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.9 p -86.78 -12.32 48.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 t -92.03 123.14 35.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 54.99 42.2 31.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 172.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.564 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 0.6 OUTLIER -149.94 9.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -179.611 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.8 p -69.83 -14.97 63.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -140.01 40.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 74.4 m -126.67 176.31 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -171.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 65.6 mt -95.39 142.09 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.2 ttp -131.32 141.43 49.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.192 -171.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.425 HG12 ' HB2' ' A' ' 163' ' ' PHE . 43.8 mm -103.26 133.82 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 168.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 37.5 pt -128.59 148.81 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -157.0 164.28 32.7 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.8 t0 48.96 77.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.263 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.25 149.93 40.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -174.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -129.9 172.8 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.6 tp -109.03 132.46 54.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.65 162.3 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -119.51 131.0 55.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.27 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.2 m -122.97 159.51 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 63.5 p -78.64 164.78 24.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 -172.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -50.02 -45.18 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 169.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.9 m -55.62 -47.63 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.86 -39.53 87.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.9 92.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.208 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.4 ttp -73.95 -40.35 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 177.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.3 t -69.04 -44.53 72.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 -174.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.61 -54.3 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.228 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 36.0 m-85 -78.11 -18.83 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 13.8 mmmm 74.57 20.13 2.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.229 176.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 40.5 mm -127.72 109.81 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.7 p -70.08 155.12 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 176.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.2 mt -105.44 -32.24 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -177.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 148' ' ' SER . 95.1 p -65.84 -19.88 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.16 -7.73 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -171.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.9 pt -120.78 -25.25 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -173.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 93.5 p -148.9 -19.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 -174.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 144' ' ' SER . 48.2 m 65.75 40.16 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.236 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -109.24 179.89 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.206 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -109.84 -31.67 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.7 pt -134.8 160.33 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.87 134.93 19.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.281 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.47 140.14 43.02 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.673 1.582 . . . . 0.0 111.214 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 86.7 t -138.97 133.77 41.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 52.6 tp -88.95 117.87 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -97.62 111.96 24.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 98.5 t -109.93 132.49 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -169.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -101.82 -32.93 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -117.19 131.61 56.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -154.92 150.96 27.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.9 t -157.13 162.91 39.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 176.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 95.8 mt -80.05 135.57 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.425 ' HB2' HG12 ' A' ' 121' ' ' ILE . 84.9 t80 -100.1 -53.61 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 176.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -166.11 168.69 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 42.8 pt -103.52 27.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -175.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -59.8 124.68 20.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.13 117.26 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -171.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 92.5 t -98.44 139.55 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.88 140.74 25.35 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 55.3 m -99.96 177.28 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.71 0.291 . . . . 0.0 111.253 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 56.5 tp -90.32 126.06 35.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -176.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 89.7 p -112.09 0.08 15.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.183 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 174' ' ' PHE . 15.1 t -139.27 -157.79 0.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.409 ' N ' ' OG1' ' A' ' 173' ' ' THR . 15.0 m-30 -64.61 142.89 98.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 176.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -52.29 131.94 42.04 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.645 1.563 . . . . 0.0 111.197 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.434 ' HA ' ' HB3' ' A' ' 179' ' ' LYS . 22.0 m-30 -69.93 -19.94 63.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.272 -178.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.7 p -57.2 -20.14 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -110.36 -43.45 3.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.243 171.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 176' ' ' PHE . 62.8 tttp -60.39 -47.27 86.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.271 -171.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -115.99 36.88 3.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.199 -1.562 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 178.394 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -89.23 -3.88 58.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -63.51 142.03 58.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.5 p -89.3 2.97 53.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.226 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.4 t -51.68 -42.16 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.233 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -69.99 -24.61 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.7 tp -94.29 97.27 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.404 ' H ' ' HB3' ' A' ' 63' ' ' PRO . 94.2 mm-40 -110.0 159.16 32.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 172.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.39 118.37 4.79 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.737 1.625 . . . . 0.0 111.122 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -134.03 -17.89 2.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.4 mt -68.72 -32.97 57.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -63.76 -42.94 97.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.236 172.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -29.91 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.192 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD22 HG21 ' A' ' 41' ' ' VAL . 97.0 mt -54.36 -43.5 71.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.573 ' C ' HD12 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -95.12 -20.62 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.21 -175.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.9 -47.98 75.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.248 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.45 -19.83 55.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.237 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -117.75 40.44 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.191 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.6 p -82.56 -7.98 59.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -95.25 21.92 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -80.04 160.98 25.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -88.8 -164.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.222 176.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 35' ' ' TYR . 99.7 mm-40 -50.13 110.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 35' ' ' TYR . 48.0 p90 29.94 52.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -174.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -90.33 123.0 66.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.36 159.36 46.92 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.758 1.639 . . . . 0.0 111.201 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 t -120.58 -160.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.82 -158.45 34.56 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 90.4 m-70 -74.99 140.05 43.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 111.175 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG21 HD22 ' A' ' 25' ' ' LEU . 29.1 m -123.71 -19.08 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.208 -175.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.9 mm -108.96 122.32 40.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 172.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -54.08 150.43 31.61 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.738 1.625 . . . . 0.0 111.228 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 t -76.63 136.78 39.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -106.92 145.74 31.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.5 p -91.43 175.39 6.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.48 -41.44 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -67.13 -40.9 86.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.211 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.95 -42.56 85.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.58 -37.08 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.78 63.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.287 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.0 mt -131.31 69.88 82.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.22 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.26 -24.95 26.8 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.649 1.566 . . . . 0.0 111.194 -177.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -80.07 -6.01 56.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.4 mmm -109.41 8.55 25.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -117.91 106.38 45.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -55.61 -32.35 82.91 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.72 1.613 . . . . 0.0 111.164 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.9 p -67.18 -15.26 63.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.6 mt -99.85 -43.43 11.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 170.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.2 mt -57.77 -38.1 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 -173.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.2 p -103.97 17.41 24.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -129.72 105.13 17.11 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.209 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 88.0 Cg_exo -54.38 -29.88 60.58 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.729 1.619 . . . . 0.0 111.18 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.5 m -57.56 -30.06 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -171.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -88.09 -8.09 56.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.259 -172.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -94.83 132.42 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.92 140.41 25.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 168' ' ' VAL . 87.9 mttt -119.92 111.72 18.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 174.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.8 131.08 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.8 p -106.01 -30.63 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -174.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -170.05 140.68 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.282 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -94.69 147.11 23.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 168.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -117.7 -37.93 3.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.18 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -150.11 92.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.8 t -90.77 117.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 81.5 m -134.64 164.74 26.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -59.95 103.52 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.308 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 70.5 17.96 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.239 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 98.4 mttt -149.34 69.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.2 t -97.62 131.63 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.501 ' HB3' ' CD2' ' A' ' 139' ' ' PHE . 96.6 m-85 -118.16 124.02 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.35 -168.71 3.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -174.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.401 ' HB3' HD23 ' A' ' 92' ' ' LEU . 23.6 p -132.11 146.01 51.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 172.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.14 154.87 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.611 ' NH2' ' O ' ' A' ' 88' ' ' SER . 64.3 ttt-85 -128.48 147.33 50.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -106.29 -146.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 168.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -59.99 -41.97 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.611 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 42.5 t -120.35 -54.54 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -165.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -111.8 165.54 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -165.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' H ' ' HB3' ' A' ' 176' ' ' PHE . 20.2 tt0 -125.29 145.91 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 177.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 tt -140.23 141.07 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.425 ' HB2' HG22 ' A' ' 154' ' ' VAL . 77.1 mt -60.53 146.26 45.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 173.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.61 143.18 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -118.9 132.68 56.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.186 173.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.69 123.12 44.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 99' ' ' CYS . 59.3 p -70.68 164.16 25.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -46.23 -38.08 8.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.259 169.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.69 -52.23 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 157' ' ' VAL . 57.4 m -51.58 -50.56 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.13 -44.66 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.0 p -61.15 -33.9 74.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -61.37 -46.5 89.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.236 174.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -65.1 -29.86 70.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.168 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.9 -40.79 38.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.04 -58.79 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 93.1 m -72.34 -49.4 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -173.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.522 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 92.4 m-70 -90.01 -14.6 33.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.238 -174.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 48.42 47.16 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 27.6 p -158.46 175.9 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.194 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -79.97 154.53 28.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.236 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.02 -19.96 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.8 p -90.78 -12.54 36.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 t -90.0 140.26 29.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 52.1 53.69 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.3 m -124.93 -45.28 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.271 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.1 m -57.83 -45.95 85.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.197 -173.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -101.26 26.65 6.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.5 m -131.23 165.07 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.275 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.4 tp -113.96 129.91 56.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.209 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 56.2 ttp -92.87 138.58 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.1 mm -116.38 125.86 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 171.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.9 pt -113.09 154.46 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 -171.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.84 155.37 26.17 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 48.5 t0 54.55 71.81 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.28 138.74 53.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 10.1 t0 -110.44 134.74 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.6 tp -89.0 127.41 35.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.36 177.68 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -130.0 139.98 50.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 174.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 24.2 m -125.22 154.68 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.215 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.6 p -92.6 168.8 10.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -49.98 -46.37 52.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.4 t -59.31 -50.05 75.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -59.99 -40.37 88.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.46 98.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.255 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.3 mtm -69.34 -30.05 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.7 p -85.7 -26.39 25.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 68.2 m170 -105.69 -63.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.501 ' CD2' ' HB3' ' A' ' 81' ' ' TYR . 73.2 m-85 -79.91 -19.98 46.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.233 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt 70.03 35.21 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 141' ' ' ILE . 17.6 tt -149.7 124.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 178.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.2 t -65.08 142.52 58.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.56 -20.96 42.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 96.1 p -68.29 -13.78 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -95.08 -11.93 27.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.227 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.9 pt -131.45 6.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.9 t -159.57 152.7 22.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 94.7 p -81.5 -13.07 58.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -111.25 166.63 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.275 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -97.67 9.38 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -176.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -135.88 146.22 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 173.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.34 155.82 67.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.75 147.65 45.18 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.734 1.623 . . . . 0.0 111.177 173.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 92' ' ' LEU . 87.0 t -138.24 137.31 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 37.3 tp -97.74 116.24 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -96.23 100.12 11.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.219 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.463 ' O ' ' SG ' ' A' ' 99' ' ' CYS . 75.7 t -94.1 126.28 46.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -170.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -85.12 -48.68 8.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -114.22 134.98 54.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.53 130.99 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.5 p -130.98 158.96 38.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 171.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 90.3 mt -129.85 127.91 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -131.5 154.12 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.223 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -73.8 72.48 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 92.6 mt -104.5 -42.06 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -158.13 125.6 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -64.76 156.2 31.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 68' ' ' LYS . 84.8 t -78.64 135.08 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -87.83 -170.25 46.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 86.9 p -73.3 161.62 30.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.818 0.342 . . . . 0.0 111.149 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 66.9 tp -110.11 121.41 45.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.181 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 30.1 t -62.24 150.19 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 69.2 p -91.09 -12.07 36.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -76.67 156.26 82.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.231 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.75 152.48 28.04 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.743 1.629 . . . . 0.0 111.173 176.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.406 ' HB3' ' H ' ' A' ' 90' ' ' GLN . 79.6 m-85 -114.45 -146.1 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.249 -177.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.4 -20.14 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 -176.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -57.58 -25.6 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -73.08 -6.33 44.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -96.57 4.65 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.201 -1.493 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 177.479 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.798 0.333 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -76.7 -15.94 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -74.47 -20.91 59.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.4 p -88.7 -4.86 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.3 t -67.88 -40.73 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 25.5 p90 -95.71 1.09 53.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 -178.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -95.55 9.29 40.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 173.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -70.42 156.1 92.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.242 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.36 142.45 54.72 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.709 1.606 . . . . 0.0 111.165 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -142.39 -22.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.192 -173.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.71 -50.05 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -55.75 -54.57 42.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.48 96.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.6 tp -61.89 -40.97 97.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 -175.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.21 -53.04 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -62.85 -40.46 97.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -173.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.05 -29.05 69.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -110.58 11.83 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 -175.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -166.94 96.32 0.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.278 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -89.96 -173.63 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -56.05 121.35 9.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 58.85 35.27 24.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -123.1 109.7 14.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.194 175.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -63.51 135.3 56.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -62.89 129.42 93.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.54 160.01 7.71 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.667 1.578 . . . . 0.0 111.204 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.9 p -83.63 -4.17 58.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.237 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.12 162.74 53.85 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -77.01 160.98 28.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 111.207 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.06 -21.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.26 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.3 mt -120.3 120.97 29.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -55.02 154.82 20.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.704 1.603 . . . . 0.0 111.213 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -74.88 142.27 44.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -175.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.5 mt -108.37 146.85 32.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.4 p -101.34 176.11 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.208 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.59 -41.79 66.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.6 -38.07 88.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -68.11 -40.13 82.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.5 mt -76.25 -35.5 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.12 -40.29 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.282 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 mt -127.78 71.16 77.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.195 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.64 -26.21 33.56 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.752 1.634 . . . . 0.0 111.15 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -78.15 -7.1 56.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.2 mmm -109.94 16.5 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 174.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.2 t -125.53 97.98 35.58 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -55.55 -31.95 80.82 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.693 1.595 . . . . 0.0 111.212 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.6 p -64.13 -20.31 65.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -93.2 -49.45 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 172.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.44 -30.06 70.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -167.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.7 p -95.04 3.54 54.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 -174.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -125.99 106.61 25.4 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.431 ' HG3' ' HA ' ' A' ' 17' ' ' PHE . 77.2 Cg_exo -55.55 -27.13 58.22 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.674 1.582 . . . . 0.0 111.198 177.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.0 m -64.95 -16.61 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 -175.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -95.69 21.16 8.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -136.85 146.45 45.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -160.2 160.79 33.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -121.24 134.77 55.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.418 ' HA ' HG22 ' A' ' 84' ' ' ILE . 10.2 tp -68.46 145.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -115.12 -38.8 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -172.22 143.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.87 142.85 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 168.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -114.63 -56.64 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.222 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.443 ' OD1' ' SG ' ' A' ' 76' ' ' CYS . 59.5 t-20 -129.06 98.81 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.8 t -103.77 112.66 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.443 ' SG ' ' OD1' ' A' ' 74' ' ' ASN . 85.1 m -130.07 175.94 8.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 178.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.464 ' HA ' ' NH1' ' A' ' 110' ' ' ARG . 88.5 m-20 -59.91 102.48 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -178.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.416 ' HB3' ' HA ' ' A' ' 97' ' ' GLN . 78.1 m-85 66.48 20.34 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -141.27 89.71 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.26 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.4 t -110.38 125.4 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.228 -175.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -115.48 118.59 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.235 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.07 -172.27 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -171.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -134.02 140.87 46.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.418 HG22 ' HA ' ' A' ' 69' ' ' ILE . 2.6 pp -128.43 172.41 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -149.24 165.91 30.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -106.49 -149.97 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 161.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -74.75 -3.41 31.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -172.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.5 p -142.72 -65.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.198 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -93.17 159.64 15.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 -166.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -131.5 139.5 49.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -147.8 147.44 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.191 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.37 151.42 46.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.9 p -141.16 137.73 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -116.85 136.98 52.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.211 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -108.35 113.71 26.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.275 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.0 p -71.33 170.64 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -173.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 65.7 tt0 -56.21 -43.8 78.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.95 -40.03 94.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 96' ' ' SER . 36.4 t -57.28 -52.62 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.57 -42.86 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.8 m -57.91 -52.95 63.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.276 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.81 -44.24 90.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.88 -43.03 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.91 -40.01 75.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.212 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.27 -35.06 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.6 m -79.44 -50.96 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -109.71 3.54 21.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.23 -168.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 56.23 37.27 28.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.1 161.33 31.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.464 ' NH1' ' HA ' ' A' ' 77' ' ' ASP . 82.7 mtt180 -80.12 161.15 25.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.1 mm -47.9 -43.89 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 95.1 m -68.36 -32.37 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.3 t -79.58 128.96 34.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -170.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 60.13 45.74 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 171.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.448 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 52.5 p -133.53 -2.04 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 175.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 98.2 m -53.12 -47.75 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -174.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -116.62 29.89 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 83.3 m -117.58 138.12 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 46.5 tp -71.86 128.24 35.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 175.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 98.0 mmm -95.49 145.26 25.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.234 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 71.3 mt -108.79 136.02 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 170.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.8 mt -114.8 132.44 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -136.4 153.5 21.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.6 t0 44.12 72.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 111.176 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 156' ' ' ASN . . . -132.23 144.07 50.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.227 -174.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -132.44 131.72 42.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.9 mt -80.92 125.73 30.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 174.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.0 159.93 42.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.297 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -90.67 129.88 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.2 m -124.98 160.12 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 171.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.1 p -86.3 166.13 15.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -171.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -50.08 -45.51 52.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 168.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 71.6 m -55.74 -46.24 77.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.63 -39.14 88.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.74 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.0 tpp -80.03 -47.92 14.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.3 p -73.61 -25.83 60.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 -169.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -110.28 -44.76 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.172 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -107.47 2.61 24.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 52.13 40.24 28.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.4 tt -142.97 130.23 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 70.6 m -65.35 137.75 57.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 54.2 tp -109.09 -48.33 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.4 p -70.68 -10.01 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.238 -175.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -103.96 2.39 32.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 49.1 pt -128.11 -19.98 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.6 p -121.11 179.94 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 91.3 p -100.83 3.11 41.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -120.07 168.0 11.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -107.66 -0.52 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.2 pt -128.88 147.83 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.9 p -143.81 136.6 13.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -174.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.96 139.97 64.12 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.751 1.634 . . . . 0.0 111.185 174.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.36 140.04 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.206 177.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 33.8 tp -91.52 110.11 21.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 -171.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' ALA . 54.4 t-20 -90.45 116.81 28.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.33 137.4 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 -169.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -109.96 -26.66 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -125.54 142.67 51.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.62 151.11 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.1 t -160.16 -179.61 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.205 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 98.4 mt -108.07 143.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.21 -176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -132.45 110.06 10.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -80.1 105.79 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.7 tp -162.11 -30.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -150.42 118.02 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.16 150.15 47.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.232 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 87.0 t -72.77 124.81 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -88.63 163.36 32.31 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.2 p -69.99 156.9 38.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.754 0.312 . . . . 0.0 111.23 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.9 tp -78.39 132.9 37.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.21 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 10.2 t -131.91 -165.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 44.7 p -81.28 74.24 8.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -108.28 155.04 40.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 174.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.5 120.31 7.15 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.701 1.601 . . . . 0.0 111.196 174.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -110.14 174.94 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 -174.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.81 -43.98 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.214 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -72.42 -21.52 61.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -72.78 -33.3 66.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -100.06 25.49 7.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 -178.125 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.828 0.346 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -77.3 -14.88 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.285 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.74 -25.03 61.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -81.32 -6.55 59.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.39 -39.98 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.408 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 30.3 p90 -102.22 5.07 39.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -100.39 28.55 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -94.88 155.17 39.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.234 174.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.15 143.41 71.3 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.72 1.613 . . . . 0.0 111.247 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -144.7 -23.89 0.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -172.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.46 -50.58 79.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.98 -49.96 75.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.211 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.95 94.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.32 -41.09 98.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.6 -54.94 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 176.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.11 -43.59 74.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.53 -30.74 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.255 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -112.49 12.49 20.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 -173.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.5 t -159.12 99.45 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -89.95 -179.34 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.97 120.8 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 57.27 35.41 26.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -120.33 116.16 24.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -65.02 136.69 57.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -63.39 131.63 94.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.188 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -54.05 161.64 4.81 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 121.722 1.615 . . . . 0.0 111.203 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.8 p -82.23 -3.44 55.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.43 173.9 52.71 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -89.22 160.93 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 111.22 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.6 m -114.59 -20.22 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.0 mt -119.9 120.0 30.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 171.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -55.01 153.87 24.15 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.727 1.618 . . . . 0.0 111.195 -175.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 t -72.17 140.5 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.3 mt -109.87 145.23 37.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.253 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.3 p -100.11 176.24 5.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.51 -42.19 70.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.45 -39.62 92.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -65.52 -43.71 89.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.19 -31.84 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.07 -45.63 66.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.8 mt -129.42 72.97 81.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.56 -25.78 29.16 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.692 1.595 . . . . 0.0 111.206 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -78.94 -9.92 59.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 97.5 mmm -104.93 4.1 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 t -119.08 106.86 42.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -54.95 -31.68 75.03 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.635 1.557 . . . . 0.0 111.141 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.7 p -64.24 -18.68 64.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -175.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.2 mt -104.1 -50.05 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.68 -38.65 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -168.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.3 p -101.61 14.58 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -173.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -127.72 104.16 21.39 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HG3' ' HA ' ' A' ' 17' ' ' PHE . 68.1 Cg_exo -56.61 -26.58 65.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.746 1.631 . . . . 0.0 111.179 178.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.9 m -64.89 -16.2 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.158 -173.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.07 9.79 42.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -125.71 149.57 48.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.6 160.02 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -119.27 144.57 46.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 176.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.44 ' HA ' HG22 ' A' ' 84' ' ' ILE . 96.6 mt -88.53 139.49 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -174.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.3 p -108.14 -38.51 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -176.84 141.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -92.99 143.1 26.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 168.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.71 -54.37 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -138.76 73.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.281 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 80' ' ' VAL . 92.4 t -79.04 114.61 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 176.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.1 m -130.0 174.24 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -50.88 99.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 61.96 23.42 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.183 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -140.03 89.94 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 75' ' ' VAL . 86.2 t -104.25 129.43 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -174.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.45 119.24 27.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.194 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.69 -173.61 4.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -172.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -128.79 143.13 50.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.44 HG22 ' HA ' ' A' ' 69' ' ' ILE . 2.5 pp -131.71 175.09 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 176.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -154.06 167.2 30.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -109.84 -144.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 166.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.0 m -85.7 9.5 16.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.1 p -150.62 -66.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -97.56 155.64 16.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -165.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -123.96 138.75 54.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.9 tt -148.3 149.75 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HB2' HG22 ' A' ' 154' ' ' VAL . 94.1 mt -70.28 150.23 46.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 178.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.39 139.44 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.241 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -128.28 151.83 48.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -121.58 127.78 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.261 -173.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 91.2 p -70.21 167.53 17.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -174.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.4 -41.51 89.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.12 -39.95 93.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 96' ' ' SER . 46.2 t -56.72 -52.67 64.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.97 -44.93 99.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.1 m -55.4 -52.41 63.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -65.0 -44.26 89.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.179 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -55.02 -47.31 74.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.01 -42.98 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.92 -37.1 85.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.3 m -71.05 -52.31 20.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.418 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.2 m-70 -99.85 -7.88 24.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.296 -169.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 53.73 42.49 31.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 23.2 p -155.13 172.54 17.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.11 164.01 23.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.6 tp -64.76 -19.9 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.5 p -96.15 -9.32 30.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.0 t -90.1 121.79 32.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -172.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 60.92 36.26 18.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.3 p -126.61 -21.42 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 92.7 m -58.03 -43.66 86.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -116.51 25.11 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.227 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.14 141.65 51.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.29 133.49 47.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.195 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 95.1 mmm -104.01 148.32 26.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -174.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 78.8 mt -109.82 136.63 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.203 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.6 mt -119.4 137.03 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.97 158.18 27.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.6 t0 44.61 70.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 0.0 111.232 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.24 146.43 48.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.223 -174.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -140.02 150.76 44.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.8 mt -91.28 132.77 35.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.1 m -135.21 149.24 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 174.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -92.6 131.13 37.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.74 160.93 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.9 p -88.75 166.77 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.194 -174.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -48.74 -46.79 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 169.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.5 m -54.53 -49.61 69.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.55 -38.89 92.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.83 -25.62 66.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.212 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.3 mtp -90.05 -30.04 17.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 85.2 p -85.94 -21.29 27.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -116.87 -42.54 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -108.63 -2.94 18.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -174.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 55.13 40.13 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 171.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.463 HG23 ' O ' ' A' ' 141' ' ' ILE . 18.0 tt -149.11 120.08 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.7 t -70.47 144.98 51.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 88.5 mt -92.64 -34.09 14.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.212 -174.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.4 p -71.74 -10.08 59.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.289 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -105.67 1.71 27.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.7 pt -130.16 -15.17 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.254 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.2 p -141.97 -179.94 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.6 p -94.61 -0.13 54.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.168 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -122.69 162.72 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -108.62 17.04 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 85.6 mt -135.02 130.23 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 176.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.76 137.06 29.46 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.196 -171.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.06 140.1 40.75 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.723 1.615 . . . . 0.0 111.236 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.423 HG22 ' HB2' ' A' ' 92' ' ' LEU . 90.2 t -134.22 136.63 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.42 113.07 22.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.179 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -94.0 122.76 36.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.6 t -114.7 131.3 67.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -170.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.16 -36.04 9.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -117.2 136.32 53.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.57 151.27 25.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.259 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.9 t -160.04 165.14 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 84.1 mt -92.97 138.28 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -140.0 89.2 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.206 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -65.72 106.5 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.197 -178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 10.2 tp -152.32 -28.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -136.45 109.33 7.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 176.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.41 131.44 50.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.54 120.76 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -91.24 172.44 36.43 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.4 p -71.24 161.29 31.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 111.185 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 30.8 tp -69.99 117.75 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 73.5 m -100.09 173.91 6.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 40.2 p -80.14 69.87 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -174.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -109.78 156.73 39.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.02 136.58 48.93 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.685 1.59 . . . . 0.0 111.153 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -116.2 170.6 8.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.245 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 74.1 t -69.39 -49.19 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -69.19 -21.56 63.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -75.75 -35.26 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -99.76 29.2 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.227 174.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.739 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.339 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.2 p -89.13 -11.27 44.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -56.16 -42.63 77.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.5 p -90.73 -3.21 57.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.277 -173.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.43 -54.1 11.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.197 -176.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -73.17 -9.44 58.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.16 5.12 35.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -79.46 153.9 76.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.17 152.79 56.63 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.652 1.568 . . . . 0.0 111.283 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -143.89 -23.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.23 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.55 -39.54 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.261 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -45.05 -62.97 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.205 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.57 95.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.227 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.2 tp -48.61 -49.98 34.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -85.26 -50.8 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.173 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.69 -39.94 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.193 -171.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -89.69 -9.26 50.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.23 -172.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -136.82 28.71 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -174.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.7 p -77.0 -21.76 54.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.25 73.64 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.442 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 76.5 m80 -67.97 -8.04 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -58.38 -36.66 73.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -116.57 -30.29 5.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.442 ' HB3' ' HA ' ' A' ' 32' ' ' HIS . 77.0 t80 -66.65 139.9 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -53.4 129.94 52.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -53.21 -33.37 64.47 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.683 1.589 . . . . 0.0 111.205 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -125.56 32.99 5.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -48.56 118.88 5.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -64.15 139.01 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 111.227 -178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -120.0 -61.56 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 91.2 mt -99.3 119.85 59.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -170.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -54.34 154.96 17.4 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.731 1.62 . . . . 0.0 111.23 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 m -69.04 143.83 54.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.246 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.56 149.96 33.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -88.05 171.16 10.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.8 -40.03 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.24 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.34 -40.04 77.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.22 -48.94 79.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.258 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.7 -30.15 66.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.42 71.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.8 mt -136.23 75.46 52.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.214 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -57.26 -37.02 99.01 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.676 1.584 . . . . 0.0 111.221 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -77.4 -6.29 52.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 -174.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.1 mmm -105.22 4.92 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.4 t -114.8 109.23 47.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.211 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -55.3 -33.27 84.42 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.691 1.594 . . . . 0.0 111.215 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.9 p -67.17 -16.99 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -99.57 -39.77 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.218 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.94 -37.91 74.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.2 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.3 p -98.44 10.04 41.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 -173.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -130.67 116.82 17.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.163 -177.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.13 -18.67 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.656 1.571 . . . . 0.0 111.234 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.2 p -65.96 -18.93 65.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -174.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -89.16 -3.94 58.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -109.89 131.98 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.58 141.54 37.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -106.01 106.22 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.5 mt -73.7 121.65 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.9 p -98.98 -29.47 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -179.19 141.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -104.26 159.83 15.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.167 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.66 -58.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -170.01 179.93 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -174.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.2 m -125.44 157.62 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 44.6 t -164.27 132.73 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 55.87 39.98 30.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 66.65 18.98 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.277 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -113.9 167.09 10.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.88 140.14 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.224 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -119.75 124.4 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.93 -177.63 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 -172.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.5 m -126.53 139.58 53.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 174.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.5 pt -128.0 168.35 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' HB3' ' HG2' ' A' ' 90' ' ' GLN . 36.5 ptt180 -149.28 171.02 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 175.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -141.95 -151.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 172.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -62.37 -29.21 70.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.3 p -98.22 -114.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -101.18 -175.79 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.252 -173.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.435 ' HG2' ' HB3' ' A' ' 85' ' ' ARG . 73.2 mt-30 -100.07 169.62 9.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -174.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -160.0 139.91 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.63 145.05 52.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 173.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -136.49 147.61 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.64 129.79 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.485 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 88.7 m-85 -105.23 134.27 48.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.209 -175.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.9 p -70.08 167.7 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -171.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -57.78 -40.08 78.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.195 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.41 -48.3 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 175.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 46.7 t -57.4 -53.15 61.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.68 -46.5 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -61.42 -52.09 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.214 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.95 -44.34 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -52.86 -52.42 57.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.263 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.91 -35.41 79.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.205 -171.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.12 -37.0 85.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.9 p -95.81 -24.48 16.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.9 m-70 -107.46 -12.75 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 50.13 45.92 25.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 31.2 p -160.77 171.3 19.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.79 141.44 40.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 17.4 tt -67.16 -20.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.6 p -82.18 -19.96 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.9 p -90.17 159.86 16.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 55.17 41.5 31.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 -177.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 41.7 p -111.53 -9.78 14.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.5 m -77.05 -59.44 2.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.4 p-10 -100.16 20.04 15.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.239 -173.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 64.9 m -129.94 164.93 23.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 68.2 mt -110.04 154.34 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.441 ' SD ' ' HB1' ' A' ' 160' ' ' ALA . 47.5 tpp -102.71 130.31 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.8 mm -103.41 110.44 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.249 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 89.9 mt -101.61 140.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.181 -169.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.05 161.13 27.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 175.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.0 t70 43.53 77.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.166 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.61 153.28 43.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -132.93 170.27 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.258 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.8 tp -102.43 132.29 48.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 34.5 m -132.34 174.23 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.185 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -113.15 142.89 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.207 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 78.1 t -132.58 137.56 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.186 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.1 p -92.82 170.5 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -50.5 -59.76 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 173.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.7 p -59.94 -35.44 74.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -174.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 21.1 tpp85 -70.53 -39.17 74.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.29 -25.53 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.247 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 97.8 mtp -73.39 -36.46 66.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 173.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.2 p -83.96 -25.73 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.276 -176.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -107.07 -64.16 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -79.16 -9.49 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 65.66 30.65 10.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 141' ' ' ILE . 18.4 tt -149.62 123.9 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 -178.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.5 t -66.83 141.2 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.247 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.4 mt -82.08 -25.11 34.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 86.9 p -67.52 -17.01 64.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -84.68 -18.04 36.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.0 pt -136.32 19.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.8 t -163.3 153.9 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.225 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.4 p -85.62 -5.34 59.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -120.39 170.03 9.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.89 24.81 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.216 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.4 pt -129.44 157.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.6 p -158.06 132.56 5.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 174.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.67 141.16 30.49 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.66 1.573 . . . . 0.0 111.231 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 72.6 t -136.6 140.01 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.283 -173.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 54.6 tp -88.98 117.9 28.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -97.87 112.81 24.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 84.3 t -108.05 132.45 55.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.216 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -96.38 -31.11 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.97 140.29 38.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.441 ' HB1' ' SD ' ' A' ' 120' ' ' MET . . . -170.9 148.12 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.9 p -135.58 153.34 51.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.216 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 95.7 mt -108.25 137.63 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -174.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -137.13 144.08 42.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 175.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -73.34 74.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 91.6 mt -94.6 -45.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.209 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -161.01 151.1 17.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 61.9 tt0 -79.89 143.53 34.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 -178.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 56.4 t -113.49 144.34 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -74.99 -177.96 40.66 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 89.0 p -80.86 170.05 16.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.761 0.315 . . . . 0.0 111.234 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 59.7 tp -80.87 127.83 32.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 92.0 p -70.34 159.81 33.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 97.9 m -64.16 -36.93 85.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -122.86 94.85 47.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.204 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.72 151.92 30.12 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -91.5 5.39 49.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 -177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.52 -19.73 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.215 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -94.62 5.26 52.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -175.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -83.19 -15.82 49.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.248 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -103.27 8.24 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -177.775 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.9 p -88.24 -15.81 34.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -66.71 142.09 57.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.0 p -97.7 10.43 40.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.279 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.5 m -64.79 -20.33 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -172.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -64.68 -24.24 67.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.189 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt -102.98 107.21 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.425 ' H ' ' HB3' ' A' ' 63' ' ' PRO . 99.1 mm-40 -109.18 159.11 32.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 174.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.92 130.06 35.95 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.693 1.596 . . . . 0.0 111.178 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 70.2 p-90 -140.61 -21.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.4 mt -64.71 -53.43 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -174.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.19 -40.18 73.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.2 77.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.8 mt -72.55 -29.03 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.87 -49.88 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -60.37 -37.12 79.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.11 -27.96 64.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -111.99 19.18 18.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -69.11 -19.48 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.25 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -101.36 20.08 16.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -89.98 162.24 15.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -57.64 145.09 35.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' TYR . 99.4 mm-40 -65.66 147.66 53.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 35' ' ' TYR . 50.1 p90 32.94 50.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -137.03 129.72 17.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.248 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.75 140.97 77.3 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.639 1.559 . . . . 0.0 111.233 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.2 t -112.4 -164.16 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.249 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.92 -172.9 47.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -73.21 143.67 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.9 -13.84 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.9 mt -125.38 127.39 24.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -53.62 154.21 16.58 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.762 1.641 . . . . 0.0 111.246 -175.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.4 m -79.05 147.05 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.56 162.72 15.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.233 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.7 p -118.4 171.93 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.217 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.89 -40.01 55.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.74 -31.65 72.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -77.04 -34.65 57.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -79.59 -26.98 41.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.242 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.53 -41.69 60.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 175.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 mt -128.59 68.68 78.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.09 -26.03 31.11 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.682 1.588 . . . . 0.0 111.265 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -79.14 -3.6 46.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.8 mtp -118.5 18.81 13.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 174.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 t -121.86 100.08 43.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -54.99 -32.18 77.7 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.736 1.624 . . . . 0.0 111.179 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.3 m -53.56 -33.57 55.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.6 mt -89.07 -49.09 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 175.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.26 -37.37 86.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -166.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.6 p -97.37 7.42 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.207 -171.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -125.79 106.56 26.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 80.4 Cg_exo -54.46 -28.57 54.99 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.749 1.633 . . . . 0.0 111.218 178.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.8 m -64.14 -18.88 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -94.27 2.53 55.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.18 142.64 45.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.22 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.62 163.13 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.235 172.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -128.87 139.97 51.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.9 mt -84.14 135.71 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.233 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.5 p -105.13 -30.4 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -176.97 145.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -102.72 157.45 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 172.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -125.74 -36.84 2.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -174.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -147.1 89.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -94.02 115.86 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 84.9 m -135.06 163.63 29.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.272 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.424 ' OD1' ' NH2' ' A' ' 110' ' ' ARG . 78.4 m-20 -60.01 108.88 0.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 66.22 29.05 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 88.7 tttt -164.72 75.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -178.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.5 t -110.61 135.06 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 -172.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.472 ' HB3' ' CD2' ' A' ' 139' ' ' PHE . 97.8 m-85 -120.58 125.84 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 178.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.39 -173.08 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.9 p -127.3 138.23 53.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.218 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.7 pt -128.24 159.97 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -139.81 159.71 41.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.259 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -110.3 -141.64 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.224 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 m -95.13 15.42 19.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t -142.27 -64.89 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -126.22 -178.14 4.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.198 -167.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -127.84 143.55 51.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 tt -137.98 142.88 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.235 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.12 149.66 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 175.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.1 p -135.06 140.09 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -175.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -116.0 133.65 55.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 172.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.85 111.18 23.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.3 p -71.23 168.74 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.271 -174.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.66 -40.32 79.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 173.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.51 -46.92 87.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.04 -56.45 20.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.4 -43.01 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.8 t -61.87 -53.42 56.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.09 -47.17 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.264 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -55.01 -46.47 75.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -69.97 -36.01 74.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 -173.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.44 -38.47 91.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.2 p -90.38 -29.99 17.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -173.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -112.24 -4.94 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.186 -173.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 54.02 42.45 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.2 p -164.6 174.53 10.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.424 ' NH2' ' OD1' ' A' ' 77' ' ' ASP . 93.8 mtt-85 -78.3 155.7 30.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -175.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.3 tp -58.45 -23.24 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 59.5 p -90.53 -17.21 27.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.7 m -60.04 110.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.266 -172.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 60.92 31.96 19.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.486 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 67.4 p -119.19 -23.6 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 172.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.2 m -57.76 -35.16 70.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.223 -177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -116.51 20.2 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.486 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 75.4 m -130.54 -170.86 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.212 -176.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.8 tp -92.86 129.49 38.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.5 ptm -110.24 154.96 22.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.41 ' HB ' HG22 ' A' ' 161' ' ' THR . 44.0 mm -111.42 142.72 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 176.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 82.9 mt -120.56 132.84 69.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.28 158.05 27.59 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.3 t0 52.05 54.85 10.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -124.27 145.6 49.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -169.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -127.84 165.86 19.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 21.3 tp -107.48 133.99 51.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.9 m -137.78 144.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -98.58 132.67 43.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.199 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.2 m -123.79 158.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.5 p -96.91 173.2 7.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -53.13 -46.62 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 173.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -58.27 -47.74 82.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.217 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.43 -37.53 87.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.08 74.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.265 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.2 mtm -77.25 -29.95 54.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.214 175.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.4 m -79.78 -32.94 40.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.191 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -107.63 -61.63 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.472 ' CD2' ' HB3' ' A' ' 81' ' ' TYR . 70.1 m-85 -77.34 -16.53 58.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 66.43 33.55 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 141' ' ' ILE . 6.3 tp -148.84 121.16 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.9 t -62.75 138.46 58.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.09 -24.1 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 89.2 p -61.9 -19.85 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -97.11 -12.45 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.5 pt -137.27 19.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -175.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.9 t -170.78 156.49 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.174 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.6 p -90.31 -5.33 56.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 174.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -122.37 153.84 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -90.03 -7.58 53.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 90.3 mt -125.42 121.36 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 174.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.92 147.7 66.47 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 -172.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.88 145.01 49.55 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.723 1.615 . . . . 0.0 111.194 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.39 136.81 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 53.1 tp -95.84 118.17 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -99.37 122.0 41.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.3 t -111.46 141.47 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 -170.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -121.67 -23.37 5.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -125.66 139.79 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 172.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.74 151.14 16.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 121' ' ' ILE . 14.5 t -145.31 -172.71 3.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 169.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 14.1 tt -120.94 130.64 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -165.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.422 ' HD1' ' HA ' ' A' ' 163' ' ' PHE . 1.3 m-30 -122.21 141.83 51.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 170.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.8 p-10 -99.08 20.35 13.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 173.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.89 -50.33 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.259 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -128.42 102.74 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -173.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -74.69 159.9 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.16 144.96 29.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.219 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -86.35 -155.44 26.55 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 83.9 p -86.64 -178.88 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.16 -174.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 42.4 tp -64.16 138.14 58.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.246 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 87.1 p -67.78 162.86 22.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.243 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 97.8 m -66.66 -47.09 73.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.92 149.85 43.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -59.24 156.45 35.05 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.694 1.596 . . . . 0.0 111.23 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -91.43 -105.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.43 -26.49 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -70.28 -30.04 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.06 -32.85 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.211 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -126.43 30.92 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.3 tp . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 -175.037 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.844 0.354 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.6 p -89.14 -4.84 58.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.05 140.07 58.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.8 m -63.68 162.81 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 173.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.39 -31.69 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 -173.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -85.62 -0.33 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -172.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.0 mt -92.36 67.93 4.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.259 177.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -91.91 159.27 38.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.91 142.22 74.52 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.702 1.601 . . . . 0.0 111.221 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -149.79 -28.73 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 -172.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG22 HG21 ' A' ' 177' ' ' VAL . 97.3 mt -64.79 -49.32 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -171.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -58.0 -52.44 65.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.1 95.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD11 ' HB ' ' A' ' 41' ' ' VAL . 30.2 tp -56.8 -49.95 73.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.66 -46.73 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -58.02 -40.36 80.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.94 -15.03 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.162 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -120.49 30.86 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.235 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.1 p -65.24 -23.76 67.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -79.85 72.3 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -69.96 -18.92 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -67.2 -28.65 68.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 175.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.27 -30.29 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -53.19 122.12 8.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -57.54 127.88 78.5 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.216 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -54.08 -37.65 86.91 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.705 1.603 . . . . 0.0 111.216 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.6 m -110.2 21.57 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -176.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.54 -179.12 49.36 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -133.14 159.01 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.195 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.419 ' HB ' HD11 ' A' ' 25' ' ' LEU . 35.7 m -117.27 -18.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 98.4 mt -118.97 123.14 29.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 172.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -55.39 154.32 24.58 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.632 1.555 . . . . 0.0 111.202 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.5 t -74.77 135.75 41.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.88 147.77 27.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.6 p -84.89 168.51 14.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.44 -40.2 68.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.269 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.86 -40.11 75.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -57.96 -48.95 78.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.21 -27.33 60.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.173 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.7 87.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.6 mt -134.02 76.69 63.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.29 -37.43 97.78 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.708 1.606 . . . . 0.0 111.211 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -76.14 -10.19 59.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.2 mmm -100.83 3.75 42.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 t -119.29 101.9 48.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -54.19 -33.33 74.41 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.674 1.582 . . . . 0.0 111.205 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.5 m -54.05 -36.84 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.58 -49.26 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.269 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.68 -40.77 80.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.201 -170.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.0 p -90.75 1.47 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -171.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -125.5 110.35 25.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -68.15 -16.53 44.61 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.693 1.595 . . . . 0.0 111.177 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.5 m -62.91 -22.86 67.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.255 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -90.82 -4.95 56.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -107.54 148.3 29.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.59 151.65 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -114.66 121.61 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.217 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.0 mt -78.94 126.97 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.1 p -94.6 -43.6 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -177.09 149.34 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -99.42 149.48 23.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -107.52 -51.99 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -158.49 149.21 20.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.19 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.0 p -135.85 139.19 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 172.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 52.5 t -159.22 127.73 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.19 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 55.66 40.87 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 65.49 19.85 11.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -113.05 108.19 16.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 176.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -103.89 140.65 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.244 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -118.94 122.6 42.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.33 -177.58 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 -172.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 t -125.03 141.18 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.2 pt -130.02 160.69 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -144.69 145.16 31.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -103.77 -149.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 170.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.4 m -70.71 -23.12 62.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.7 p -103.28 -106.88 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -101.02 -176.6 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -119.22 159.98 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -172.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.4 tp -146.21 150.71 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.55 143.45 48.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.235 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.44 148.71 28.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -133.52 152.34 51.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -120.85 138.11 54.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.218 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 59.6 p -70.14 159.47 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.279 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -50.97 -44.1 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.49 -39.26 91.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.7 t -51.6 -58.04 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.78 -42.52 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -174.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.1 m -54.84 -49.84 70.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.58 -45.37 90.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 111' ' ' ILE . 44.9 t80 -50.94 -46.43 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.62 -42.28 91.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.17 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.87 -40.07 95.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.9 m -72.05 -49.61 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.454 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 96.6 m-70 -98.18 -7.42 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.222 -168.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 54.45 38.83 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 31.5 p -160.26 167.78 26.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.92 144.17 33.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.403 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 14.0 tt -70.05 -12.94 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -177.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.9 p -99.64 -9.45 23.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.261 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -97.54 115.81 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -172.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 59.89 46.63 10.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 64.6 p -127.64 -7.9 5.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.223 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.4 p -72.54 -17.54 61.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -173.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -114.71 21.76 14.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.0 m -117.97 170.61 8.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.2 mt -98.93 146.66 25.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.267 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 62.8 ttp -118.82 134.41 55.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -175.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.21 119.93 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.2 pt -115.2 152.69 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.277 -170.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.59 162.32 29.57 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.6 t0 51.78 70.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.8 148.12 51.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 -174.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -135.24 170.07 16.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.7 mt -99.64 134.68 42.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.7 t -129.73 129.72 66.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.41 120.0 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.214 172.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.5 m -123.94 148.96 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 172.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.3 p -93.03 168.69 10.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.254 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -49.5 -41.91 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.3 p -58.33 -33.45 69.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.18 -35.45 36.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.268 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.03 -37.99 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.5 tpp -79.9 -45.66 18.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.232 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.3 t -66.89 -42.4 85.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -172.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -109.69 -47.02 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 -169.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -85.5 -12.52 51.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.227 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 65.14 35.55 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 20.0 tt -152.84 129.79 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.5 t -60.05 132.89 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.23 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.11 -29.52 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.7 p -62.83 -21.41 65.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -174.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -99.35 -14.28 19.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.256 -173.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.1 pt -120.8 -0.81 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 148' ' ' SER . 53.5 p -152.87 -34.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 169.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 147' ' ' SER . 20.0 m 68.55 24.35 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -174.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -120.11 172.75 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -86.34 -27.02 24.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 90.0 mt -130.1 140.56 48.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.14 134.49 13.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.92 133.03 16.22 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.75 1.634 . . . . 0.0 111.205 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 32.8 m -127.84 160.82 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.1 tp -98.68 120.27 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.236 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -104.42 120.59 41.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 176.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.6 t -110.19 126.98 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -174.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -81.41 -40.43 23.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -134.31 140.01 46.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -162.51 149.16 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 44.5 p -132.61 161.29 34.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 170.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 87.8 mt -131.84 131.95 61.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.226 -173.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.43 140.7 49.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -77.73 97.24 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 80.9 mt -120.56 -73.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -105.02 135.11 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -64.08 129.97 42.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.19 136.36 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.227 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.09 168.26 54.76 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 86.6 p -79.63 166.57 21.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 68.5 tp -74.39 134.05 42.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.236 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.0 t -130.61 -149.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 172.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 42.3 p -80.83 57.78 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 175' ' ' PRO . 22.8 m-30 -79.96 130.81 65.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.238 -177.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 174' ' ' PHE . 73.3 Cg_exo -56.22 140.57 87.84 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.745 1.63 . . . . 0.0 111.192 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -94.41 139.68 30.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.408 HG21 HG22 ' A' ' 22' ' ' ILE . 50.3 t -56.4 -50.54 71.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -64.54 -45.17 88.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.97 -37.11 66.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -119.85 34.75 5.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.453 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.6 p -117.53 17.94 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -54.15 135.23 44.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.1 p -78.23 -10.31 59.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.3 t -49.97 -44.86 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -102.56 8.09 39.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.241 -175.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -107.81 12.47 27.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.243 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -71.6 149.54 93.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.172 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.71 133.92 59.78 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.776 1.651 . . . . 0.0 111.197 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -140.15 -20.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 175.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.5 mt -69.68 -40.05 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.47 -49.44 77.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 171.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.32 -36.93 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 176.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.0 tp -61.0 -50.17 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 pt -76.43 -19.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.27 -43.69 69.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.69 -26.93 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -134.96 61.69 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.0 p -63.4 -25.02 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.212 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -87.37 75.64 9.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -70.21 -20.1 63.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -173.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -93.29 -3.29 53.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.267 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -120.01 5.13 10.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.208 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -55.37 145.02 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -49.79 129.96 20.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -54.34 -36.53 87.35 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.713 1.609 . . . . 0.0 111.211 -175.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.3 m -118.26 19.76 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.93 163.3 50.85 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -136.77 152.74 50.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.6 t -111.31 -40.06 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.6 mt -119.95 119.71 30.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -54.58 153.51 23.32 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.733 1.622 . . . . 0.0 111.212 -175.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.2 t -70.58 132.75 45.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.51 146.66 23.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.4 p -85.71 170.1 12.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.3 -40.04 67.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 172.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -68.44 -40.55 81.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.48 -46.38 90.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.21 -36.82 77.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.85 -41.28 83.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.5 mt -137.3 74.8 47.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.87 -22.28 27.18 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 121.677 1.584 . . . . 0.0 111.203 -177.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -80.36 -5.62 56.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 96.1 mmm -108.52 17.32 22.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.264 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -121.9 88.34 47.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 86.9 Cg_exo -52.54 -30.76 46.06 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.653 1.568 . . . . 0.0 111.216 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.0 m -49.92 -45.65 51.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.2 pt -94.66 -22.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 -175.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 95.4 mt -66.49 -21.45 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.2 p -105.54 17.62 23.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 175.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.424 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 62.2 t-20 -139.76 102.33 7.08 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.236 -179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -61.78 -20.44 69.14 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.698 1.599 . . . . 0.0 111.189 -174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.424 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 88.4 m -60.58 -24.56 65.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 -173.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -89.28 3.22 52.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 -175.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.72 139.92 50.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -176.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.37 153.11 31.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.236 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -111.67 101.64 10.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.204 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.36 125.53 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 173.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.7 p -102.12 -29.91 11.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.2 tttt 179.98 142.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -176.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -101.36 160.04 14.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -108.01 -54.67 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -173.23 179.92 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -176.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.6 t -129.0 126.65 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.0 t -149.48 143.26 25.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.198 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 59.72 31.22 20.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 64.8 21.54 12.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -178.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.66 147.41 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.5 t -104.88 123.86 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 -176.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -105.13 119.94 40.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.83 -174.48 4.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -125.96 141.07 52.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.3 177.3 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.411 ' CB ' ' HG2' ' A' ' 90' ' ' GLN . 13.1 ptm180 -160.0 170.44 21.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -130.03 -149.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 165.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.3 m -84.92 4.36 33.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -174.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.1 t -129.17 -67.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.263 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -119.1 159.53 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -166.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.411 ' HG2' ' CB ' ' A' ' 85' ' ' ARG . 53.1 mt-30 -113.04 150.03 32.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 174.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.3 tt -151.22 144.57 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 -174.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.4 148.95 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.194 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 p -137.23 140.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -119.59 124.12 45.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 85.5 m-85 -98.75 119.85 38.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.532 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.9 p -67.24 168.48 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -174.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -56.81 -42.05 78.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.29 -44.42 84.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 50.2 t -58.14 -60.56 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.218 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.94 -30.39 49.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.229 -175.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.1 t -64.47 -53.55 46.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.39 -42.13 92.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.223 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -54.32 -43.59 71.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -69.99 -39.97 75.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.217 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.03 -36.62 82.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 176.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.9 m -74.47 -50.3 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -108.46 0.88 21.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -168.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.12 38.64 30.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.24 163.48 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.22 159.42 23.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.48 -23.15 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.1 p -85.31 1.15 49.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.0 p -77.1 -129.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.9 68.26 9.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.246 -171.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 54.3 p -127.12 -13.03 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -75.95 -10.29 59.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 -171.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -124.92 20.04 8.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.7 m -121.94 165.02 16.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -178.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 60.4 tp -92.8 122.9 35.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -108.42 148.52 30.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -167.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' A' ' 161' ' ' THR . 46.6 mm -110.05 133.25 56.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.35 139.48 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.26 155.63 25.7 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 40.7 t0 49.12 60.27 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 0.0 111.212 177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.12 150.33 49.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -140.05 154.47 47.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.7 tp -77.1 129.07 35.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.0 -170.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -139.88 159.08 42.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.0 p -124.98 136.88 59.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 173.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 65.4 p -89.98 157.62 17.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -53.53 -42.92 67.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.8 t -63.82 -50.51 68.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -55.78 -43.94 77.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 177.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.84 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.248 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 58.4 ttm -65.71 -40.88 92.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.151 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.4 t -81.33 -67.56 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.292 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -57.9 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -174.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -80.5 -14.74 58.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -173.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 66.7 30.94 7.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 141' ' ' ILE . 18.7 tt -154.16 120.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.7 t -64.77 150.34 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.7 mt -84.13 -9.94 58.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.8 p -70.28 -10.33 58.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.27 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -92.01 -10.71 38.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.5 pt -129.91 -7.91 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.214 -175.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 91.1 p -149.97 160.72 43.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 92.3 p -98.11 1.78 47.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 172.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -116.56 172.95 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 175.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -95.8 7.57 45.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -172.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.6 pt -133.76 143.91 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.1 t -137.31 136.6 20.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -57.04 136.75 78.55 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.701 1.601 . . . . 0.0 111.217 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 53.5 t -139.38 146.92 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 55.2 tp -100.09 127.01 46.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 174.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -100.03 114.07 27.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.2 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 84.3 t -109.87 143.74 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.251 -173.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.25 -22.11 4.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -177.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -126.71 140.13 52.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 170.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -153.47 150.02 28.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.424 HG22 ' HB ' ' A' ' 121' ' ' ILE . 13.0 t -159.16 -179.44 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 172.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 93.6 mt -107.6 134.91 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -99.85 -54.09 3.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -159.29 174.47 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 -173.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 43.6 pt -97.8 31.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.15 127.29 30.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -61.1 138.79 58.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 22.6 m -110.17 168.11 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.244 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -82.21 179.23 53.29 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 97.1 p -89.69 164.69 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.212 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 64.4 tp -90.23 122.59 33.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.225 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 97.1 p -78.83 165.37 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.22 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 97.4 m -76.6 -28.05 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -124.37 113.49 27.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -51.78 126.53 20.1 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.775 1.65 . . . . 0.0 111.209 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -71.54 -23.69 61.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.89 -23.58 33.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -90.26 -50.4 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.285 174.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -53.95 -38.27 64.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.162 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -114.63 28.0 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 -177.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 -179.762 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.749 0.309 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.0 p -89.68 -15.68 32.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.24 134.48 56.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.209 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.7 m -69.79 -20.2 63.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.237 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.29 -49.97 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.239 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -94.26 5.82 50.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.93 119.93 19.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -81.9 158.0 68.26 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.233 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.89 161.65 44.78 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.679 1.586 . . . . 0.0 111.237 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.9 p90 -149.99 -26.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.235 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -51.13 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.226 -169.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.03 -44.56 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.04 75.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.234 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.06 -33.46 76.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 -173.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.5 -59.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 177.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.58 -37.47 87.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -170.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -64.12 -26.15 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -120.17 19.81 12.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -174.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 t -161.3 112.93 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -97.25 -169.8 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.265 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -54.81 120.35 6.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.27 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 56.97 35.21 26.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -117.43 146.83 43.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 173.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.79 146.02 27.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -66.08 130.74 94.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.7 168.43 0.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.693 1.595 . . . . 0.0 111.214 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.8 p -85.54 1.89 47.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.301 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.89 161.33 53.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -82.7 156.82 23.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 0.0 111.209 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG23 HG13 ' A' ' 42' ' ' ILE . 35.3 m -118.08 -18.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.224 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.409 HG13 HG23 ' A' ' 41' ' ' VAL . 95.3 mt -115.46 115.04 42.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.27 172.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -55.1 154.87 20.83 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.755 1.637 . . . . 0.0 111.198 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.5 p -73.18 160.05 32.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -124.05 167.59 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.0 p -118.93 168.25 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -49.41 -40.0 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.26 -32.35 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.21 -177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -75.37 -43.62 49.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.72 -27.84 62.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.97 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -131.82 73.35 78.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.29 -26.64 29.58 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.65 1.566 . . . . 0.0 111.22 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -80.3 -9.99 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.273 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.8 mmm -104.09 -0.2 28.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.0 t -120.97 109.18 35.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.259 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -53.88 -30.45 58.11 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.687 1.591 . . . . 0.0 111.204 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 m -50.12 -35.89 27.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.7 mt -100.01 -48.64 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.81 -41.38 70.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -169.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.9 p -104.97 14.41 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -170.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -128.31 102.36 21.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.5 -27.94 61.82 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.652 1.568 . . . . 0.0 111.226 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.9 m -59.98 -24.31 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -93.15 9.75 34.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.189 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.3 166.24 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 174.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.43 145.94 18.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 171.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -101.6 121.1 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.4 mt -81.78 134.98 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.2 p -111.58 -40.05 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -176.85 147.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 82' ' ' ALA . 58.2 m-85 -101.04 143.69 30.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 169.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -110.46 -50.11 2.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.256 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -134.4 153.04 52.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.198 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -146.53 121.54 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 61.4 m -130.18 175.29 9.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 174.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -76.24 -11.94 60.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -115.5 -33.39 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -175.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 99.0 mttt -146.24 139.8 26.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -175.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.416 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 96.5 t -126.67 139.41 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 174.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -121.82 118.04 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -174.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 72' ' ' PHE . . . -143.16 -177.28 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.14 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.4 t -126.63 139.9 52.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.9 pt -129.64 -176.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -158.84 169.32 24.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -117.03 -138.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 168.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 m -106.25 13.41 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.6 t -120.72 -54.36 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -162.95 -178.42 6.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -92.96 172.44 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.4 tt -165.65 139.21 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 170.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.48 148.24 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.89 137.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -174.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -120.51 126.31 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.714 ' HB3' ' HG ' ' A' ' 99' ' ' CYS . 83.8 m-85 -99.79 133.42 44.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 76.9 p -74.71 168.43 19.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.251 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -56.62 -40.05 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 171.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.1 -46.92 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.18 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.714 ' HG ' ' HB3' ' A' ' 95' ' ' PHE . 51.2 t -55.97 -50.94 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 176.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 68.4 t -55.19 -49.96 67.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.6 m -57.83 -48.42 79.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -57.7 -44.96 86.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -58.52 -51.93 67.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.205 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.28 -31.5 71.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.81 -29.94 69.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -103.38 -22.43 13.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.179 -171.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.63 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 76.8 m80 -109.56 -22.47 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 -176.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 48.94 48.27 20.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 27.8 p -162.78 -176.42 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.87 144.34 37.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.5 tt -68.71 -14.7 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.3 p -97.25 -9.11 28.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.221 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.8 t -90.85 116.7 28.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -172.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 60.07 44.02 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.221 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 49.0 p -130.09 -14.73 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.2 p -70.51 -13.58 62.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 -168.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -129.06 20.09 5.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 82.3 m -110.01 138.43 46.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.6 tp -63.53 143.68 57.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 174.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 33.5 ttp -124.25 144.11 50.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.287 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.0 mt -113.74 126.2 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 70.9 mt -114.47 147.63 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -169.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.73 152.53 24.25 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 43.4 t0 50.37 76.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -141.3 147.79 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -129.93 168.4 16.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.218 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.7 mt -111.89 133.97 53.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.06 153.6 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -91.88 139.53 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.0 m -125.0 157.43 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.7 p -90.92 174.81 7.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -174.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -53.31 -53.61 48.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.5 p -55.04 -42.77 73.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 42.3 mmt180 -60.1 -49.58 77.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.63 75.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.8 mtp -72.35 -43.3 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.5 p -79.99 -21.59 43.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.212 -173.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -105.1 -42.7 5.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.267 -174.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 97.0 m-85 -117.75 -10.3 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -171.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 89.7 mttt 71.08 35.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 88.8 mt -129.02 111.75 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.1 t -69.75 132.34 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 169.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 80.3 mt -95.18 -36.58 11.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.3 p -72.78 -12.52 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.174 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -109.45 14.99 23.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 19.8 tt -143.16 -15.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.235 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.3 p -145.04 167.96 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 94.0 p -83.61 -18.68 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -107.23 151.69 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -102.67 10.91 38.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -129.14 145.76 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.259 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.6 m -139.41 151.67 67.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.24 145.39 30.6 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.731 1.62 . . . . 0.0 111.216 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.17 135.05 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 45.0 tp -86.6 110.22 19.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -85.84 112.45 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 96.8 t -109.86 127.18 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -169.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -91.93 -50.42 5.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -111.29 136.54 50.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.191 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.69 138.69 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 88.4 m -133.25 129.83 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 91.5 mt -101.52 129.76 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 -174.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -117.44 151.17 37.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 -172.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -100.04 19.89 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 40.2 pt -81.1 -12.16 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -157.43 121.62 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.228 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -83.04 150.09 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.2 m -130.62 164.39 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -77.34 137.6 20.61 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 91.7 p -84.88 170.94 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.91 99.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 80.4 p -158.16 25.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -176.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 57.7 p -128.98 176.65 7.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 -175.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -75.82 149.81 83.39 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.227 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.98 137.02 75.23 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.699 1.599 . . . . 0.0 111.236 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -121.69 -48.11 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.86 -20.04 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -99.15 -23.07 15.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.06 -37.41 61.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -110.93 12.49 22.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.253 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.1 tp . . . . . 0 C--O 1.2 -1.545 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 179.903 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -79.36 -8.51 59.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 177.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -90.32 -0.21 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p -64.42 -18.64 64.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.1 m -65.72 -19.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -86.67 -9.26 56.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.252 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 5.3 mp -77.77 68.47 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 -177.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -105.81 158.05 33.28 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -53.96 128.61 30.42 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.747 1.631 . . . . 0.0 111.204 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -158.43 -37.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.03 -39.12 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.224 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -52.81 -51.44 60.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 173.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.18 90.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.52 -42.72 98.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.173 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.3 mt -65.56 -39.95 86.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.211 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.89 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.212 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.97 -34.33 77.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -102.95 29.9 5.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.9 p -64.71 -22.9 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -79.81 72.02 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -65.28 -21.22 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.49 -29.53 70.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -101.44 8.39 42.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.184 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -82.96 124.61 30.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -177.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -59.17 130.7 87.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -53.03 -38.99 80.93 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.772 1.648 . . . . 0.0 111.2 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.0 m -110.13 19.62 18.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.93 149.52 25.53 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -125.84 159.62 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 111.234 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.5 t -90.27 -39.71 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.4 pt -133.47 60.77 49.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -176.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -81.2 -3.78 12.28 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.708 1.605 . . . . 0.0 111.2 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -66.45 -24.37 66.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 mt -78.13 145.51 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.8 p -117.36 178.71 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.96 -36.82 77.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -67.92 -38.62 83.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.225 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -62.38 -46.61 87.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.08 -28.04 61.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.92 99.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 mt -131.07 78.99 72.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -60.55 -34.94 92.03 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.753 1.635 . . . . 0.0 111.173 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -74.9 -6.93 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.9 mmm -109.81 14.55 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 173.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 t -130.56 95.23 27.25 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.223 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.95 -32.05 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.683 1.588 . . . . 0.0 111.222 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -52.91 -37.4 60.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.0 mt -80.88 -50.09 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.244 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.6 -35.08 76.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.216 -166.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.9 p -94.58 -5.72 45.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.22 -169.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -120.04 123.82 28.17 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.457 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . 74.1 Cg_endo -79.29 -13.22 13.85 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.696 1.598 . . . . 0.0 111.196 -172.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.6 p -73.59 -6.58 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.215 -171.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -97.26 -9.5 27.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.226 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -99.86 143.83 29.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 -174.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.82 143.79 24.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.96 106.19 14.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.439 ' HA ' HG22 ' A' ' 84' ' ' ILE . 96.9 mt -66.06 134.43 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.224 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.5 p -107.93 -31.15 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 -177.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -169.93 140.11 2.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.01 145.39 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 166.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -105.88 -50.01 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 -175.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -168.64 164.38 12.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.82 121.6 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 174.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.64 ' HG ' ' HE2' ' A' ' 81' ' ' TYR . 31.1 p -160.88 164.25 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 56.64 31.68 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 62.25 24.37 14.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.223 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.84 147.47 52.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.35 132.57 57.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.64 ' HE2' ' HG ' ' A' ' 76' ' ' CYS . 66.1 m-85 -116.06 117.46 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -172.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.16 -178.55 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -173.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -132.63 145.72 51.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.439 HG22 ' HA ' ' A' ' 69' ' ' ILE . 2.3 pp -130.11 156.4 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 -176.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.489 ' NH2' ' HB2' ' A' ' 174' ' ' PHE . 99.0 mtt180 -117.8 159.08 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.276 169.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -138.38 -160.81 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 174.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.4 m -70.06 -19.94 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.226 -173.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.4 p -98.26 -79.56 0.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.195 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.73 -171.96 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.311 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.427 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 57.3 tt0 -97.88 141.76 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.209 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.5 pt -142.23 175.1 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 170.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.55 162.01 13.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.0 140.0 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -125.24 120.83 32.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -96.53 117.15 30.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.173 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.5 p -70.37 167.3 18.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 -176.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -55.46 -39.89 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.68 -45.39 94.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.173 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.5 t -56.4 -51.56 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 178.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.06 -49.09 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -57.87 -49.09 77.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.195 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.01 -43.69 91.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -55.55 -41.75 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.68 -44.45 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.91 -34.91 73.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.5 m -78.7 -53.83 6.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.218 -176.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -105.98 1.47 26.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 -167.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 57.13 35.31 26.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.8 p -162.21 172.26 16.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.8 158.08 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.8 tp -62.59 -21.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.7 p -89.18 -2.21 58.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m -76.36 70.22 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 50.17 55.6 9.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.229 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 61.8 p -102.5 -1.39 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 174.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.6 m -57.1 -40.47 77.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -99.57 30.25 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.7 m -127.39 149.67 49.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 173.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.5 tp -76.02 120.16 20.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.186 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 65.4 ttp -99.43 135.27 41.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.19 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 83.7 mt -119.98 121.84 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.9 pt -111.81 160.05 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.179 -170.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.67 160.79 28.96 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.1 t70 54.85 40.16 31.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.195 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -101.63 149.14 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -124.1 161.42 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.205 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.5 tp -103.58 127.59 50.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 -174.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.05 -177.24 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -127.5 146.01 50.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 175.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.3 p -126.7 145.88 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 174.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.9 p -94.59 165.39 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -50.04 -57.45 7.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.5 m -59.34 -41.68 89.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.19 -174.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -69.08 -50.57 47.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.72 -31.03 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.14 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 67.3 ttp -54.41 -37.33 64.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.0 p -113.96 -13.75 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 -171.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -100.1 -50.64 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -93.56 -3.19 53.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.162 173.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 61.21 34.28 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 141' ' ' ILE . 8.7 tp -156.68 103.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 90.9 p -60.59 154.66 20.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.42 -32.48 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -171.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 88.3 p -74.57 -9.88 59.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 -176.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -105.9 3.03 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.4 pt -128.72 -12.92 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 52.1 p -146.2 179.91 7.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 92.1 p -91.16 -0.1 57.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -116.58 151.78 35.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.283 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -103.95 6.07 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.243 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -135.0 134.23 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.75 133.98 20.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.66 149.99 79.32 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.685 1.59 . . . . 0.0 111.209 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 84.7 t -131.54 139.91 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.33 116.07 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 170.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -95.37 107.63 19.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.206 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 82.0 t -101.77 138.82 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -166.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -110.91 -23.02 11.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.176 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -140.95 141.82 34.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 175.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.92 146.58 20.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 82.6 p -139.29 170.08 16.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.192 172.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 49.1 mm -101.36 136.01 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -91.87 -60.03 1.97 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.205 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -166.35 163.55 17.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.99 133.15 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -160.77 98.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -54.97 133.24 48.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -173.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 49.2 t -124.05 140.15 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.178 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -65.71 155.18 50.36 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 84.7 p -81.52 -179.96 7.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 111.169 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.46 121.6 12.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 85.0 p -156.7 177.46 11.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 88.1 m -58.46 120.07 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.236 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.489 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 21.1 t80 -163.76 132.05 2.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.251 -177.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -55.61 142.04 82.53 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.704 1.603 . . . . 0.0 111.222 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -103.95 154.84 19.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 173.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.98 -42.49 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -56.14 -34.86 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -176.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.9 -31.51 60.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -120.25 27.53 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.246 -178.397 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.796 0.331 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' H ' ' HB3' ' A' ' 63' ' ' PRO . 81.3 mm-40 -117.93 157.2 49.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 178.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -55.07 136.31 72.52 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.701 1.601 . . . . 0.0 111.174 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -150.32 -28.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.89 -49.94 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.72 -57.21 12.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.61 79.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.6 tp -61.67 -46.6 89.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.29 -31.39 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.54 -42.82 86.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -73.86 -15.28 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -71.38 138.61 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.161 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.88 -22.34 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 -173.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.5 pt -130.76 158.71 74.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.01 155.55 54.86 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.715 1.61 . . . . 0.0 111.182 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.3 t -76.96 129.25 35.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.227 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.58 155.98 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -99.78 171.34 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.73 -31.76 69.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -68.52 -40.64 80.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.92 -40.38 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -68.74 -33.11 73.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.33 -43.45 81.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.0 mt -137.78 73.14 47.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.226 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.53 -26.13 14.38 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.717 1.611 . . . . 0.0 111.224 -177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -80.23 -4.41 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.0 mmm -113.78 10.03 17.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -112.66 107.59 54.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.88 -36.03 90.51 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.706 1.604 . . . . 0.0 111.234 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.9 m -53.01 -37.91 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.233 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -84.62 -43.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.23 -37.84 81.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 -172.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.7 p -90.49 0.18 57.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -122.29 98.31 44.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 71.8 Cg_exo -54.85 -25.04 41.38 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.665 1.576 . . . . 0.0 111.205 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.1 m -59.4 -27.15 65.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -175.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -81.4 -16.83 51.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -87.55 136.61 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 -176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.86 159.63 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -124.23 142.18 51.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.7 mt -94.38 128.94 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.2 p -107.72 -28.19 9.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -179.97 147.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -110.9 160.34 16.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -108.0 -61.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.248 -175.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -169.96 177.79 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 -171.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.29 129.89 65.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 49.7 t -148.16 139.96 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.227 -175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 58.1 35.04 24.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.217 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 64.98 21.0 12.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -122.74 138.74 54.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -94.72 131.92 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.214 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CE2' ' HB3' ' A' ' 138' ' ' HIS . 96.9 m-85 -114.35 114.84 26.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.65 -178.76 5.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.6 t -125.99 131.61 52.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 pt -130.74 164.67 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -151.2 -175.87 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -138.91 -150.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 172.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.6 m -66.08 -20.19 66.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.2 p -106.84 -108.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.216 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -98.59 173.5 6.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -163.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' H ' ' HB2' ' A' ' 176' ' ' PHE . 30.2 tt0 -115.76 144.9 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 -173.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.8 tt -147.27 148.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.79 152.3 43.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.8 p -137.94 137.57 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -116.55 129.83 56.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -102.24 117.39 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.223 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 79.6 p -64.22 163.03 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -174.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -55.6 -40.14 71.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.2 -46.05 91.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 174.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.4 t -56.62 -48.34 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.73 -50.13 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -56.89 -50.0 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.76 -46.88 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.205 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.99 -45.66 71.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -40.96 95.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.16 -39.07 91.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.5 m -73.75 -50.04 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.523 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.8 m-70 -102.62 -9.15 20.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -167.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 54.87 40.13 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.523 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 28.8 p -161.64 176.12 11.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.249 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.02 158.72 17.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.83 -17.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 76.6 p -101.64 4.25 40.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.2 m -70.23 84.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 46.23 60.02 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.0 p -112.47 2.74 16.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.235 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.9 p -78.38 -5.48 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -171.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -124.14 19.94 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.64 168.42 9.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.17 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.2 tp -107.69 124.13 49.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.1 ptm -110.06 158.56 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -169.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.0 mm -126.7 132.35 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 173.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.3 154.4 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.56 154.55 25.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.4 t0 52.75 45.79 28.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.163 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -107.68 152.51 24.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.0 164.83 23.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 153' ' ' PRO . 59.4 tp -108.76 129.77 55.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.9 139.52 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -96.09 137.0 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.1 m -125.55 161.26 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.4 p -97.6 178.0 5.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -57.02 -55.74 30.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.5 p -59.53 -33.49 71.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 57.0 mmm-85 -66.21 -51.82 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.5 -30.17 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.199 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 66.4 ttp -70.03 -39.94 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.228 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 96.0 p -85.58 -22.57 27.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.411 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . 68.5 m-70 -103.27 -63.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -176.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -80.09 -9.41 59.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 69.18 30.85 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 141' ' ' ILE . 6.8 tp -149.13 120.02 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.9 t -65.25 143.38 57.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.2 -20.38 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.6 p -58.79 -23.16 59.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -174.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -99.98 -11.83 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.6 pt -137.82 32.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.2 p -162.61 164.72 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 176.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.0 p -104.18 -10.63 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 170.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -129.89 154.82 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -77.18 -15.27 59.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.9 mt -122.71 121.65 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.9 m -132.78 151.74 78.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.404 ' HB2' HD11 ' A' ' 127' ' ' LEU . 78.8 Cg_endo -75.86 144.63 27.74 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.648 1.566 . . . . 0.0 111.211 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 79.4 t -136.95 142.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.74 127.55 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -108.38 110.73 22.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.64 133.53 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 -170.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -106.37 -29.74 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.227 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -119.88 132.67 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -149.31 143.89 26.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.1 t -150.06 138.28 20.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 94.2 mt -125.67 127.6 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.186 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.88 145.7 51.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -76.96 71.85 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 96.6 mt -101.42 -58.66 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -115.88 118.18 32.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.22 130.93 49.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.26 140.89 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.791 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.418 ' HB2' ' H ' ' A' ' 90' ' ' GLN . 97.5 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.795 0.331 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.52 -33.85 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 178' ' ' TYR . 5.7 m-30 -86.95 -8.34 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -97.9 -29.47 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.224 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -119.93 36.75 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 -177.774 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.893 0.378 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -70.01 157.58 89.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.179 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.1 141.52 57.64 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.657 1.571 . . . . 0.0 111.232 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -139.66 -16.09 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.8 mt -75.84 -34.24 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.197 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.66 -39.97 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 169.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.93 84.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.195 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.17 -44.14 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.01 -47.63 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.99 -47.03 86.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.23 -36.9 81.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.192 -178.803 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.516 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -66.17 137.79 57.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.174 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.7 m -121.82 -13.06 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.1 mt -118.94 129.8 25.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -53.07 151.03 22.3 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 121.734 1.623 . . . . 0.0 111.157 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.0 t -64.38 136.58 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.217 -173.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' HA3' ' A' ' 123' ' ' GLY . 9.7 tp -85.4 140.07 31.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.21 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.8 p -101.89 170.26 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.95 -36.51 84.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.76 -37.63 88.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.71 -45.85 92.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.25 -48.5 78.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.167 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.18 68.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.5 mt -135.98 77.09 50.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -173.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -68.96 -26.14 31.7 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.657 1.572 . . . . 0.0 111.213 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -84.05 -3.69 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.2 mmm -110.21 14.07 22.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 t -117.69 107.58 44.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -53.91 -35.52 80.37 Favored 'Trans proline' 0 C--N 1.328 -0.535 0 C-N-CA 121.734 1.623 . . . . 0.0 111.206 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.2 m -54.56 -36.12 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.7 mt -83.78 -44.15 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.255 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.38 -31.1 70.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.189 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.7 p -102.47 10.83 38.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -130.94 113.35 16.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.64 -17.85 42.76 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.651 1.567 . . . . 0.0 111.175 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.5 m -64.54 -19.32 65.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -96.66 14.98 23.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.172 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.22 136.92 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.96 144.49 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -110.45 109.0 19.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.5 mt -75.31 123.09 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -97.38 -20.45 17.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -170.06 141.4 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.268 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.18 144.19 27.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 167.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -101.06 -59.74 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -170.4 170.23 7.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 -177.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.68 114.49 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.0 140.0 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 54.89 34.61 22.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.219 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 64.05 25.73 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.06 125.14 47.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.53 134.55 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -117.75 121.85 41.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.51 -177.81 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -175.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -127.88 139.83 52.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.2 pt -130.91 148.52 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.3 ptt85 -130.11 160.03 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.215 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -112.34 -141.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 167.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.0 m -101.22 17.5 22.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.193 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 t -139.13 -64.43 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -129.32 168.48 16.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.244 -172.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -125.0 139.08 54.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.0 pt -132.05 174.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.46 ' HB2' HG22 ' A' ' 154' ' ' VAL . 97.9 mt -92.43 156.56 17.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.206 170.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.53 142.54 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -132.06 142.14 49.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -114.95 128.27 56.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 73.9 p -65.9 162.48 18.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -55.5 -40.03 71.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.237 174.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.95 -42.58 94.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 96' ' ' SER . 43.2 t -55.32 -52.21 64.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 175.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.99 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.6 m -56.58 -50.09 72.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -63.43 -45.37 91.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.213 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -54.96 -48.8 72.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.03 -42.9 79.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.65 -39.2 93.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.22 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -70.91 -49.63 43.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.246 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -99.73 -9.58 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -168.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 54.43 42.67 31.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.168 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.8 p -155.52 167.06 31.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.67 165.49 20.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.9 tp -65.48 -20.0 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.3 p -96.7 -9.68 28.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.1 t -96.6 124.13 40.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 60.04 37.81 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.6 p -124.61 -19.54 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.0 m -60.06 -41.54 92.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.5 p-10 -98.71 21.01 11.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 72.1 m -129.5 170.12 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.2 mt -100.48 138.71 37.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.251 172.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.0 tpp -85.35 129.15 34.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.235 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 43.1 mm -105.45 101.37 12.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.0 mt -98.81 137.28 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.487 ' HA3' ' HB2' ' A' ' 45' ' ' LEU . . . -147.63 170.59 28.35 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.8 t0 41.25 67.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.239 -171.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.74 145.22 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -124.83 150.02 46.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 49.4 tp -101.13 129.69 47.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.217 -174.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.1 177.22 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -127.6 139.37 52.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.58 160.1 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.1 p -91.74 176.75 6.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.255 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -50.1 -56.46 10.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 172.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.6 p -66.98 -35.95 81.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -59.99 -48.17 82.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.04 85.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 67.1 ttp -55.92 -39.86 72.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.233 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.0 t -75.94 -55.62 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -75.01 -50.01 17.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 -171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -97.05 -1.89 44.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.211 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt 66.34 30.05 9.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.5 tt -152.33 119.94 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 94.4 p -70.35 160.23 32.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.02 -36.86 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.198 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 80.8 p -75.72 -10.1 59.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.156 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -104.6 -0.84 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.252 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 47.2 pt -122.85 -18.73 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.8 p -148.25 177.49 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 98.6 p -91.17 0.47 57.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -119.61 150.25 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -116.42 -11.44 11.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 81.8 mt -88.97 96.95 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -120.88 131.5 24.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.36 144.01 32.17 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.7 1.6 . . . . 0.0 111.222 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' A' ' 92' ' ' LEU . 84.7 t -134.69 131.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 48.6 tp -93.76 110.62 22.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -88.0 114.12 24.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 81.1 t -107.41 125.93 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 -170.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -87.81 -41.59 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -133.47 143.51 48.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.246 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.88 20.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.4 t -139.11 -170.37 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 173.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 6.4 tp -140.62 146.66 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 -173.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -158.96 140.58 13.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.22 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -77.33 111.42 12.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -173.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 86.0 mt -131.58 -50.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -143.07 117.14 9.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.224 -173.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 66.0 tt0 -57.24 133.48 55.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.213 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 67.7 t -104.28 130.14 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.239 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -177.893 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.807 0.337 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.06 -49.72 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -68.6 -20.09 64.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -74.55 -35.9 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -120.43 33.37 5.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 40.9 tp . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -178.106 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.801 0.334 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -64.66 159.0 65.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.239 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.71 130.22 36.07 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.713 1.609 . . . . 0.0 111.185 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -137.35 -21.5 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.26 -40.99 88.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.07 -53.71 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.254 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.93 -40.06 75.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tt -56.92 -59.97 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.269 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.6 pt -73.95 -20.1 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -77.49 -51.39 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.79 -30.56 70.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 179.74 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -124.29 156.59 36.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 111.184 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.42 -45.93 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.218 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.17 123.24 49.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -56.37 150.86 48.01 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.748 1.632 . . . . 0.0 111.147 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.8 t -70.97 143.29 50.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HG ' ' HA3' ' A' ' 123' ' ' GLY . 91.1 mt -78.18 135.98 37.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.222 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.3 p -84.62 173.59 10.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.242 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.15 -44.38 79.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -65.6 -40.71 92.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.83 -47.04 86.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.88 -42.44 81.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.98 66.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 mt -134.21 79.67 55.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -57.92 -36.73 97.99 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.723 1.615 . . . . 0.0 111.228 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -77.5 -8.14 57.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.9 mmm -105.06 16.37 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.211 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -123.11 92.72 48.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HA ' ' HB3' ' A' ' 60' ' ' LEU . 79.4 Cg_exo -53.86 -31.9 64.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.667 1.578 . . . . 0.0 111.254 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -54.43 -34.39 61.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.7 pt -109.68 -20.0 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 57' ' ' PRO . 61.1 tp -68.35 -38.56 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.9 p -94.94 17.04 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -129.87 101.84 18.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -55.48 -27.96 61.81 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.671 1.581 . . . . 0.0 111.205 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.4 m -55.69 -29.94 60.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.482 ' HB3' HG23 ' A' ' 121' ' ' ILE . 36.7 m-70 -80.15 -18.03 50.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 -176.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -91.49 140.38 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 -173.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -151.29 159.94 44.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -150.02 124.02 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.9 mt -82.29 125.91 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.275 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.4 p -95.24 -23.11 17.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.238 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -167.42 140.06 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.05 147.25 25.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -119.92 -48.13 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -141.41 104.2 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -172.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.95 120.65 53.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.221 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . 80.7 m -127.58 -170.09 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.44 89.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 -176.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 64.19 15.1 9.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 76' ' ' CYS . 99.7 mttt -125.58 100.09 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.9 t -115.58 127.28 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -167.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -107.24 120.76 43.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 174.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.57 -177.12 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -125.76 139.18 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.4 pt -125.75 170.86 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -156.69 164.62 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -117.98 -149.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 171.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.2 m -78.42 -1.5 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 -171.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t -147.41 -61.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -89.88 169.91 10.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.215 -170.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -145.84 150.24 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 tt -157.13 146.73 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 -170.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.58 151.82 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 p -135.28 140.03 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -120.4 119.51 33.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -96.74 117.07 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 80.1 p -71.33 164.51 25.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.227 -171.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -50.23 -47.14 55.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.21 -45.66 92.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.223 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 96' ' ' SER . 46.1 t -54.91 -59.57 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.7 -40.3 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -172.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.2 t -59.86 -50.64 73.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.222 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -66.66 -40.66 88.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -55.0 -44.6 74.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -67.73 -41.48 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.261 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -56.89 -43.75 81.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.1 m -72.97 -51.5 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -103.91 5.83 35.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 -168.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 58.89 29.88 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.4 p -168.57 147.89 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -80.75 171.1 15.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.97 -17.38 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.193 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.5 p -84.74 -15.67 44.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.7 t -107.02 136.07 47.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 59.98 41.45 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.461 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 76.3 p -131.48 -10.13 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.5 m -52.7 -48.7 66.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -172.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -120.97 37.04 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 60.7 m -125.83 170.36 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.261 -175.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.43 123.95 45.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.8 ptp -112.82 160.23 18.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 -173.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.482 HG23 ' HB3' ' A' ' 65' ' ' HIS . 67.3 mt -117.83 139.1 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 169.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 47.1 pt -120.63 165.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.42 ' HA3' ' HG ' ' A' ' 45' ' ' LEU . . . -161.17 172.26 37.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.0 t0 55.0 45.55 26.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 156' ' ' ASN . . . -115.66 138.93 50.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.183 -170.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -124.31 151.65 44.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.214 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 62.8 tp -89.1 127.0 35.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.4 p -139.74 139.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.242 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -102.51 134.0 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.17 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.8 m -124.85 164.91 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.291 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 82.5 p -96.86 164.38 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.281 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -50.0 -43.13 50.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.8 p -55.98 -37.62 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.47 -37.82 56.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.196 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.42 72.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.239 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 79.5 mtm -81.35 -41.17 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.6 p -83.08 -28.71 29.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -170.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -110.97 -48.84 3.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -90.23 -8.32 51.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.252 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 57.9 38.09 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 141' ' ' ILE . 16.6 tt -150.03 119.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 177.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.5 t -71.35 141.77 50.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 82.2 mt -81.34 -15.11 56.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 82.9 p -76.66 -10.07 59.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -98.63 13.18 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.1 tt -144.29 -29.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.4 p -150.08 -179.57 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 88.0 p -101.26 14.0 33.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 171.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -89.17 150.63 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.205 -174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -99.48 -7.72 25.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.24 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -130.06 167.26 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.7 p -153.54 133.61 7.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.218 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.28 140.21 40.19 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.716 1.61 . . . . 0.0 111.234 175.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.26 140.16 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 47.4 tp -95.17 116.11 28.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.273 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 125' ' ' ALA . 43.0 t30 -97.44 111.46 23.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 86.9 t -103.55 142.36 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -170.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.66 -23.88 4.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -122.22 142.93 49.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 172.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.14 153.07 30.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.189 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.8 t -160.03 161.06 33.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 98.7 mt -88.51 129.32 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -100.14 -49.94 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.239 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -162.49 179.39 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 43.3 pt -100.13 35.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.221 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -79.57 110.82 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -75.57 135.78 40.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.261 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 92.0 t -120.81 144.16 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -175.183 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.765 0.316 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.37 -20.05 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -70.0 -23.14 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.279 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -74.5 -7.21 52.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -99.35 0.13 42.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 -178.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.855 0.359 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -110.81 150.0 41.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.93 138.96 83.77 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.787 1.658 . . . . 0.0 111.187 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -139.94 -24.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.8 mt -69.38 -46.78 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.181 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -55.32 -55.93 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.89 79.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.227 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HG ' HD22 ' A' ' 127' ' ' LEU . 55.2 tp -56.71 -56.95 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.9 pt -75.94 -18.5 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 -171.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -73.2 -42.47 62.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -67.42 -28.22 67.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.212 177.684 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -64.33 133.65 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.4 t -118.4 -57.58 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 mp -106.15 121.51 45.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.197 -174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -55.19 155.01 20.79 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.691 1.594 . . . . 0.0 111.229 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -70.32 148.39 48.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.2 mt -110.02 158.69 17.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.3 p -105.84 177.07 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.78 -42.33 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.67 -39.59 88.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -64.95 -42.73 94.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.63 -34.26 67.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.08 -43.28 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.234 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.2 mt -135.12 76.9 56.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -57.43 -38.28 94.79 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.676 1.584 . . . . 0.0 111.186 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -75.3 -10.06 59.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.4 mmm -99.86 2.41 43.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -113.36 108.6 52.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -53.56 -37.76 83.19 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.69 1.594 . . . . 0.0 111.284 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.7 m -52.49 -37.57 57.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.255 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.8 -48.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.62 -40.05 92.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -167.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.3 p -88.88 -5.03 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -169.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -120.09 117.37 32.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -68.64 -14.85 40.34 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.691 1.594 . . . . 0.0 111.19 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 95.6 m -63.57 -20.75 65.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -94.64 0.28 54.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.186 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -106.57 144.65 32.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.255 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.85 156.14 40.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -124.19 94.99 4.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 mm -65.67 130.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.184 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.0 p -100.54 -28.35 12.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -173.39 147.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -97.69 129.91 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 170.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -90.16 -56.29 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.168 -169.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -164.17 172.62 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.0 t -129.61 128.88 66.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.464 ' SG ' ' HE2' ' A' ' 140' ' ' LYS . 51.0 t -150.12 143.34 25.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -177.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 62.49 30.29 17.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 64.07 23.15 13.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.25 148.16 49.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.81 129.16 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -172.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 76' ' ' CYS . 82.3 m-85 -113.23 123.12 49.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 -173.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.59 -179.29 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 -173.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.0 m -122.43 138.96 54.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.243 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -113.98 134.53 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -105.43 134.56 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.251 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -116.79 -159.86 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p -61.18 -26.85 67.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.4 t -121.61 -67.22 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -123.73 -178.26 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -167.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -106.03 154.86 20.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 tt -139.85 140.1 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 175.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.7 144.46 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.1 p -135.02 140.09 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -119.85 117.57 28.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -94.17 123.44 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.559 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 72.6 p -69.46 165.81 20.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -174.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -58.35 -41.85 85.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.218 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.13 -35.43 78.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.8 t -56.27 -52.63 63.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 174.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.12 -43.82 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.222 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -56.6 -50.05 73.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.39 -45.64 90.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.211 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -51.55 -46.69 63.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.46 -39.99 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.89 -36.32 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.1 m -76.94 -53.19 8.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.406 ' NE2' ' OG1' ' A' ' 161' ' ' THR . 92.8 m-70 -101.36 -3.26 29.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -167.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.23 41.56 31.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.6 p -160.74 170.97 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.43 155.26 38.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 13.8 tt -67.87 -13.98 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 66.6 p -92.45 -5.15 52.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.0 t -99.38 126.19 45.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 59.91 41.28 18.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.9 p -128.11 -9.77 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.8 p -98.64 -20.8 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 171.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -95.95 1.36 52.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 58.1 m -133.9 172.48 12.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' A' ' 166' ' ' ASP . 98.5 mt -87.4 140.32 29.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.2 tpp -96.29 131.24 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.252 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.6 mm -104.35 130.36 55.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 97.2 mt -101.47 137.27 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.276 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.2 149.71 20.62 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 173.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.4 t0 44.32 73.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.338 . . . . 0.0 111.224 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -131.33 136.68 48.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -115.61 146.74 41.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.425 HD22 ' HG ' ' A' ' 25' ' ' LEU . 53.9 tp -83.01 126.63 32.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 171.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.86 138.08 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -93.51 126.05 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.266 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.49 132.49 62.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 72.7 p -87.48 166.08 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -50.65 -45.28 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.6 t -57.07 -51.59 68.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.24 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -68.54 -29.93 68.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.25 77.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.21 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.9 mtm -78.63 -30.22 46.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.266 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 73.3 m -82.65 -37.13 25.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -110.32 -52.81 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -171.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.88 -19.05 60.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.464 ' HE2' ' SG ' ' A' ' 76' ' ' CYS . 74.1 mmtt 64.83 34.17 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.0 tt -159.58 127.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.9 t -63.76 144.96 56.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.32 -17.57 60.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 87.3 p -74.41 -8.9 57.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.08 -9.86 32.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.7 pt -126.42 -17.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.4 p -147.46 -179.99 7.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.225 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.8 p -100.57 9.56 42.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 172.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.52 154.51 25.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.174 -174.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -97.7 9.95 41.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.0 tt -156.51 129.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.18 153.63 78.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.76 140.0 37.96 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.703 1.602 . . . . 0.0 111.191 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 89.2 t -132.52 140.2 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 91.8 mt -89.64 112.13 23.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -93.39 100.61 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.9 t -101.76 124.02 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.211 -169.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -99.96 -20.01 16.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -136.31 142.3 43.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -148.68 151.42 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.257 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.406 ' OG1' ' NE2' ' A' ' 107' ' ' HIS . 13.4 t -159.33 -179.7 8.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.202 174.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 97.2 mt -103.68 136.66 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 119' ' ' LEU . 68.5 t80 -91.0 -67.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.204 176.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -158.46 160.38 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.6 mt -77.47 79.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -174.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.432 ' HB3' ' HG ' ' A' ' 119' ' ' LEU . 68.0 t0 -117.38 107.25 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.259 169.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -60.0 139.98 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -171.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 91.3 t -112.24 140.13 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.541 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.611 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.764 0.316 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 35.5 m -74.87 5.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.237 -172.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -56.37 -24.61 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -67.87 -16.8 64.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -109.99 11.67 23.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--O 1.201 -1.47 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -178.695 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.757 0.313 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -106.99 154.05 40.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.62 142.1 90.82 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.696 1.597 . . . . 0.0 111.246 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -141.04 -20.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 176.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.85 -40.67 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -53.65 -59.83 4.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.256 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.57 94.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.41 -51.21 63.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.278 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.5 mm -83.26 -35.45 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -174.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.38 -40.06 77.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.9 -11.2 59.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 -178.719 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 96.9 m-70 -80.05 142.9 34.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.174 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.51 -15.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.203 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.9 mt -113.74 127.58 26.67 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -53.05 145.34 42.45 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.736 1.624 . . . . 0.0 111.237 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.4 p -76.45 159.93 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.9 mt -117.34 158.21 24.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 177.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.6 p -110.36 175.99 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 176.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.25 -40.83 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.41 -38.19 90.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -69.41 -38.0 77.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.2 -39.54 86.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.99 -43.33 71.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.65 70.47 79.27 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -175.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.33 -25.64 30.38 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.669 1.579 . . . . 0.0 111.204 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -80.06 -4.92 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.6 mmm -110.23 13.04 23.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -113.92 109.16 50.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -55.16 -32.39 79.91 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.664 1.576 . . . . 0.0 111.253 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.4 p -66.37 -20.05 65.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.266 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -97.6 -40.11 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.73 -39.71 94.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.252 -173.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.0 p -114.95 37.26 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -172.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -143.7 109.89 5.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.257 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -55.2 -30.2 70.28 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.738 1.625 . . . . 0.0 111.19 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.02 -15.71 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.189 -175.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -99.84 26.82 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.208 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -136.45 129.12 30.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.201 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.98 159.17 44.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.176 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -115.45 129.99 56.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.7 mt -79.74 134.06 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.4 p -107.74 -42.57 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.179 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -176.17 145.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 82' ' ' ALA . 88.1 m-85 -99.67 146.99 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.197 172.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.96 -47.23 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -132.3 100.56 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.251 -174.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.1 t -104.44 112.29 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -177.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 76.6 m -129.69 159.91 34.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.223 175.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -53.13 105.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 60.3 38.87 19.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 88.4 tttt -165.95 86.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.224 176.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.9 t -119.94 137.53 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -170.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.62 131.92 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 72' ' ' PHE . . . -145.46 -177.33 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.185 -174.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.2 t -121.85 142.16 50.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 175.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.4 pt -137.83 166.68 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -148.51 159.76 43.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.141 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -103.77 -141.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.2 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.7 m -91.81 9.62 31.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.6 t -143.45 -68.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -111.98 166.83 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 -166.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -124.2 138.87 54.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.6 pt -137.68 178.88 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.2 mt -106.06 157.08 17.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 172.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.53 139.86 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -106.36 135.83 47.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.147 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.25 111.14 23.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.3 p -72.28 165.98 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -55.92 -40.92 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.24 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.24 -43.14 98.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.276 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.5 t -58.08 -55.42 35.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.31 -41.19 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -62.4 -51.25 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.47 -44.86 93.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.02 -41.38 71.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 174.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.09 -41.1 86.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -177.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.82 -41.16 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.2 m -74.16 -47.96 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.272 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -104.01 -4.47 23.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -168.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.01 42.28 31.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.191 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.13 172.37 14.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -80.04 152.94 29.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.2 tp -60.5 -19.98 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.2 p -97.54 -16.35 20.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.6 t -57.79 97.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -168.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 53.56 42.39 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.422 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 81.4 p -109.6 -6.28 15.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.257 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.9 m -55.28 -36.1 65.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.247 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -112.08 28.09 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 70.8 m -116.48 170.7 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 166' ' ' ASP . 82.1 mt -99.78 153.67 18.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 58.9 ttp -131.47 139.99 49.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -170.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 95.5 mt -105.95 114.45 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 172.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 95.4 mt -93.08 134.79 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.19 148.55 19.97 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.0 t0 51.29 70.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.151 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.24 113.46 25.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.492 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 11.1 t0 -82.14 123.56 29.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 60.4 tp -88.37 121.73 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.6 m -139.65 143.4 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -91.53 131.57 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.222 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.86 159.99 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.4 p -90.09 164.64 14.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.17 -173.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -49.96 -41.7 47.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.4 t -55.78 -50.16 71.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.0 mmt180 -61.14 -38.08 85.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.29 79.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 99.0 mtp -82.31 -33.18 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.4 t -70.21 -48.97 54.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.231 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -108.86 -46.81 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -80.52 -19.46 45.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 64.12 39.92 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 141' ' ' ILE . 16.7 tt -148.65 120.06 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.5 t -66.53 134.67 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.44 -20.0 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 87.7 p -58.86 -24.17 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.188 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.04 20.73 17.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.577 ' O ' HG12 ' A' ' 146' ' ' ILE . 21.3 tt -169.35 30.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -177.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.7 p -160.94 169.58 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.262 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 88.1 p -110.22 -10.1 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 169.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -132.56 159.98 37.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -83.36 -2.4 55.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.3 -174.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.47 124.77 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -133.58 149.85 73.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 -171.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.47 141.73 16.0 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 121.729 1.619 . . . . 0.0 111.18 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.32 160.02 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.265 172.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.9 mt -109.8 122.6 47.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.261 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -91.88 103.62 16.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 171.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.4 t -94.75 131.8 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -169.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -105.39 -24.11 12.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -126.96 135.39 50.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -157.6 139.0 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 81.0 p -124.92 155.43 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 162.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 82.8 mt -135.06 130.01 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -134.71 152.59 51.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -96.66 40.14 1.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.204 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 98.0 mt -58.1 -42.21 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.425 ' HB3' HD11 ' A' ' 119' ' ' LEU . 67.3 t0 -134.91 117.11 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.19 129.92 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -176.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 85.7 t -91.33 139.88 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.474 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.863 0.363 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.98 -13.28 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -72.28 -13.45 61.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -80.72 -27.29 36.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -117.68 43.46 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 -167.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -177.551 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.773 0.321 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -119.4 159.41 45.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.72 121.71 9.67 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.756 1.637 . . . . 0.0 111.125 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -140.24 -24.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.6 mt -65.52 -40.71 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -63.09 -54.44 37.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.34 79.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -53.75 -56.68 15.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -83.1 -27.52 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 -175.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.36 -39.99 77.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 174.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -88.16 -11.51 46.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 178.531 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.48 145.17 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.327 . . . . 0.0 111.231 -172.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -94.98 -49.88 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.8 pt -127.79 156.1 76.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.49 155.04 22.27 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.753 1.635 . . . . 0.0 111.183 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.4 t -76.4 127.88 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.6 mt -87.77 156.6 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.6 p -108.07 177.61 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.23 -35.31 73.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.176 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -67.22 -37.88 84.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -69.12 -39.35 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.05 -32.73 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.37 -41.12 66.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 175.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.9 mt -133.94 70.64 74.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 -175.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.7 -25.08 34.3 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.69 1.593 . . . . 0.0 111.242 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -80.03 -4.23 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.238 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.5 mmm -110.07 14.92 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.6 t -122.74 102.65 38.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -55.33 -32.27 80.54 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.709 1.606 . . . . 0.0 111.189 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.8 p -63.41 -23.7 67.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.226 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 121' ' ' ILE . 89.2 mt -91.03 -46.21 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.191 172.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.06 -38.12 81.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.291 -171.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.6 p -101.84 25.52 8.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.25 -170.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 58.0 t-20 -146.35 106.5 4.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -56.26 -24.8 52.82 Favored 'Trans proline' 0 C--N 1.327 -0.553 0 C-N-CA 121.769 1.646 . . . . 0.0 111.174 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.417 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 71.9 m -71.9 -8.53 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -172.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -96.7 2.95 52.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.78 139.91 45.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.58 137.18 31.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -118.74 107.8 14.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 69' ' ' ILE . 1.3 mp -78.25 122.33 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -174.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -92.83 -22.44 19.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -171.43 139.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -93.02 134.61 34.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 164.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -111.76 -41.83 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -173.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' HB3' ' HB2' ' A' ' 81' ' ' TYR . 43.6 t30 -140.68 100.52 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.19 -177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.2 t -108.56 115.69 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . 86.7 m -130.04 -175.61 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -57.76 95.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' A' ' 97' ' ' GLN . 18.1 m-30 60.25 30.13 19.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 76' ' ' CYS . 93.6 mttt -140.04 90.08 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -108.41 129.03 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.415 ' HB2' ' HB3' ' A' ' 74' ' ' ASN . 81.8 m-85 -119.77 121.32 38.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 175.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.48 -171.67 3.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -174.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.2 p -134.64 147.13 50.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 171.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.4 pt -127.25 146.46 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.237 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 -133.59 120.05 20.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -83.24 -149.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.211 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.5 m -88.11 9.99 20.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -137.1 -70.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -120.88 153.85 36.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 -165.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -103.7 145.02 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.5 tt -141.23 145.48 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.421 ' HB2' HG22 ' A' ' 154' ' ' VAL . 95.5 mt -70.36 146.42 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.57 138.42 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -177.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -120.05 130.52 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -104.57 125.44 50.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 64.7 p -72.24 168.37 18.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -171.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.444 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 66.9 tt0 -56.99 -46.41 82.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 174.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.06 -40.03 95.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.8 t -55.35 -58.28 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.18 -36.6 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 t -58.86 -50.05 75.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.12 -46.72 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -51.76 -45.5 63.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.81 -47.03 82.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.26 -37.06 85.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.5 m -70.09 -50.03 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 96.8 m-70 -102.17 -8.69 21.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.222 -168.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 49.89 47.0 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 24.9 p -159.72 176.88 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.01 162.69 16.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.5 tp -64.04 -19.96 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 63.3 p -97.62 -16.75 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.4 m -56.1 95.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -169.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' A' ' 118' ' ' CYS . 96.7 mt-10 51.76 40.72 28.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 80.7 p -102.0 -5.98 23.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 91.5 m -56.1 -39.78 72.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -109.03 26.32 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 114' ' ' GLU . 72.3 m -116.43 169.93 8.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.22 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.412 ' HB3' ' HB ' ' A' ' 165' ' ' ILE . 55.1 tp -113.94 124.92 53.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.182 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.46 ' SD ' HD11 ' A' ' 69' ' ' ILE . 55.5 ttm -85.57 141.39 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 59' ' ' ILE . 43.8 mm -109.78 124.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.221 166.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.4 pt -113.4 152.8 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -172.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.61 162.49 30.76 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 45.1 t0 48.85 71.14 0.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 111.252 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.32 134.59 52.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -105.67 135.17 47.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.8 120.83 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.425 HG23 ' HB ' ' A' ' 154' ' ' VAL . 27.9 m -138.32 -162.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.242 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -154.01 164.97 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.4 p -136.63 140.06 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.7 p -85.33 170.02 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.289 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -52.48 -59.65 4.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 m -63.73 -42.67 97.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.201 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 61.8 ttt85 -62.87 -43.27 99.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.52 69.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 97.3 mtp -72.28 -26.34 61.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.8 p -96.67 -20.04 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -109.53 -53.76 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.22 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 73.8 m-85 -89.21 -18.73 26.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 86.8 mttt 69.39 31.35 3.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 -172.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 89.2 mt -131.06 121.41 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 44.2 t -75.66 133.22 40.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 166.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 85.6 mt -101.83 -37.89 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -169.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 90.4 p -74.13 -10.41 59.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -109.56 5.05 22.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.3 pt -127.49 -20.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.218 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.4 p -134.54 179.99 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 67.0 m -85.84 -4.56 59.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -118.49 134.16 55.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -75.4 -11.81 60.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 174.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 97.4 mt -124.02 137.4 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.1 t -128.51 133.27 24.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -65.27 145.52 83.99 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.583 1.522 . . . . 0.0 111.268 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.425 ' HB ' HG23 ' A' ' 128' ' ' VAL . 79.1 t -130.39 143.35 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 -176.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 87.4 mt -96.71 117.5 31.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -92.11 98.47 11.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 88.0 t -94.69 123.76 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.24 -170.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -99.95 -20.04 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -130.02 136.11 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 174.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -152.51 145.87 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 161' ' ' THR . 15.2 t -156.7 128.67 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.233 176.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 91.4 mt -109.75 129.57 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -169.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.33 149.96 52.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -75.13 74.98 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.197 -178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 87.8 mt -102.92 -50.37 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 -178.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -138.87 119.01 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -173.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -59.69 140.91 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 67.3 t -92.18 140.89 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.544 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.806 0.336 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.85 -23.19 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -59.04 -23.32 61.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.29 -19.4 54.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.125 -172.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -127.09 65.08 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -174.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.84 0.352 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -67.81 157.18 87.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -63.94 143.18 84.65 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.727 1.618 . . . . 0.0 111.233 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -141.04 -23.93 0.75 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.223 -176.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.12 -55.87 18.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.98 -39.93 72.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.13 75.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.63 -30.34 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.46 -49.93 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -61.21 -40.21 93.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.225 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.26 -25.7 67.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.225 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.219 -177.833 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 84.2 m-70 -69.66 138.7 53.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 111.194 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.44 -19.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 -177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.417 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 83.8 mt -120.03 115.23 33.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 171.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -55.51 155.41 21.17 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.698 1.599 . . . . 0.0 111.165 -176.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.8 p -76.33 159.14 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt -109.87 149.46 29.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 p -80.81 173.99 12.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -55.73 -44.7 77.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.81 -41.9 86.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.72 -40.88 98.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.35 -33.18 71.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.52 -45.83 91.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.217 176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.7 mt -139.38 75.69 32.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.232 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -59.14 -35.53 97.62 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.716 1.611 . . . . 0.0 111.219 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -81.66 -0.17 41.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 96.4 mmm -114.77 8.54 16.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -106.74 112.55 63.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -55.12 -36.19 92.43 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.714 1.61 . . . . 0.0 111.265 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.5 p -65.21 -22.84 66.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.3 mt -90.47 -43.88 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.238 173.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.51 -30.29 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.21 -172.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 73.5 p -98.28 15.69 23.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -140.16 111.21 7.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.18 -15.4 31.87 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.693 1.595 . . . . 0.0 111.222 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.2 m -65.3 -23.13 66.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -88.04 -1.85 58.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -109.58 156.01 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.32 156.81 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -127.81 103.51 7.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.8 mt -71.83 128.66 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.21 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.1 p -106.01 -27.24 11.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -175.27 140.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.241 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -102.76 159.97 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -106.82 -55.59 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.23 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -179.61 -171.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -171.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.96 156.88 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . 41.9 t -162.71 137.49 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.237 176.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 55.33 37.31 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 65.51 22.89 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -117.04 155.0 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.6 t -108.91 133.99 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 76' ' ' CYS . 92.5 m-85 -120.97 120.43 35.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.14 -175.86 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.239 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 m -122.29 140.19 52.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.202 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.6 pt -125.0 170.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 176.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.443 ' HB3' ' HG3' ' A' ' 90' ' ' GLN . 37.9 ptt180 -153.14 170.63 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 172.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -132.79 -149.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.8 m -57.84 -28.75 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -98.91 -109.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -110.88 -174.44 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 -167.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.443 ' HG3' ' HB3' ' A' ' 85' ' ' ARG . 26.4 mp0 -94.9 165.75 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -173.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.1 tt -160.0 144.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.49 ' HB2' HG22 ' A' ' 154' ' ' VAL . 90.0 mt -66.8 145.58 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.3 p -135.96 148.45 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.19 139.84 39.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.232 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -111.08 126.35 54.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.493 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 59.5 p -63.89 161.91 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -173.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -56.26 -41.07 75.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.09 -39.9 90.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 96' ' ' SER . 39.5 t -58.19 -46.82 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.52 -49.67 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.4 m -56.39 -50.28 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.177 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.62 -49.23 71.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -52.44 -45.71 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.95 -40.36 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.71 -39.04 92.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.5 m -73.34 -50.05 24.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -104.62 -4.49 22.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -168.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.83 41.09 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.0 p -159.32 166.88 30.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -88.66 159.51 17.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 111' ' ' ILE . 97.4 mt -78.48 -5.77 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 81.3 p -100.93 -6.28 24.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 174.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.4 t -101.27 108.35 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -174.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 59.74 43.66 15.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 173.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.5 p -113.34 -12.31 13.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.0 p -81.54 -10.91 59.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -170.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -124.21 20.02 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 77.4 m -126.81 165.11 19.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 60.3 tp -95.26 120.86 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 92.1 mmm -90.86 149.1 22.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.199 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 77.1 mt -126.63 111.44 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.242 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.0 pt -114.04 160.02 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 -170.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -155.37 165.06 32.26 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.1 t0 53.18 54.78 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.163 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.417 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . . . -115.83 138.05 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 11.0 t0 -114.49 134.39 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -176.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.6 tp -86.15 122.5 30.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 32.9 m -130.19 173.01 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -120.81 132.79 55.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 93.1 t -118.53 136.04 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.0 p -81.95 168.55 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.27 -40.41 86.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 99.8 p -70.08 -39.65 75.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.268 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.59 -29.85 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.222 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.83 -16.85 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 99.2 mtp -88.91 -25.64 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 92.8 p -92.02 -19.91 21.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.2 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -102.56 -65.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -89.57 -18.27 26.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 87.5 mttt 64.98 36.91 7.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.6 tt -151.46 128.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.4 t -59.96 143.24 52.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.247 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.57 -3.69 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.8 p -66.34 -19.78 65.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 170.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -103.69 9.74 37.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.277 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.4 mm -119.62 -40.65 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.8 p -143.98 -177.66 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.223 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.2 p -88.3 -0.35 57.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.72 -179.97 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -98.12 32.25 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.159 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 151' ' ' ILE . 16.2 tt -145.8 121.38 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.96 130.2 18.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.65 144.39 44.27 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.748 1.632 . . . . 0.0 111.21 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' A' ' 92' ' ' LEU . 62.7 t -133.47 141.01 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 155' ' ' LEU . 4.2 mm? -89.95 112.52 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -92.43 99.55 12.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 99.4 t -92.19 140.19 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -171.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -114.71 -31.34 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -120.68 136.93 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 172.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -150.39 135.25 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 64.7 p -131.22 169.11 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 166.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.16 134.52 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -139.35 145.27 38.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -82.01 67.77 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 94.8 mt -100.25 -48.3 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.272 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -134.4 111.36 10.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.44 130.28 46.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.64 139.16 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.206 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.466 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.352 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.817 0.341 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.77 -21.69 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -65.0 -17.09 64.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.51 -16.7 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -96.63 -2.94 43.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.203 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.214 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.837 0.351 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.84 156.81 72.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.61 130.17 32.5 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.698 1.599 . . . . 0.0 111.213 178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 64' ' ' CYS . 8.8 t90 -142.58 -35.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.03 -42.49 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.92 -43.68 94.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.72 95.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.15 -37.02 85.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.234 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.77 -48.14 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.241 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.25 -39.47 79.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.51 -22.63 67.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.243 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -178.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.548 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -64.09 125.67 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 0.0 111.187 -175.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -110.13 -58.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.6 mt -107.54 129.4 24.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.229 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -53.51 149.24 31.5 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.7 1.6 . . . . 0.0 111.165 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -76.57 139.58 40.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.5 mt -102.28 148.74 25.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.268 173.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.8 p -88.73 173.97 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.26 -42.15 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.235 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.87 -41.01 88.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -68.36 -42.93 78.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.6 -39.92 73.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.06 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.9 mt -130.91 71.44 82.4 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.34 -28.36 33.22 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -76.47 -7.72 55.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.242 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.4 mmm -104.79 16.21 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -133.78 82.58 49.75 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.206 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 88.7 Cg_exo -53.86 -31.22 61.5 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.776 1.651 . . . . 0.0 111.184 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.3 m -51.27 -40.46 58.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 pt -101.48 -18.45 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.257 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 86.2 mt -66.13 -23.71 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 173.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.5 p -96.82 6.35 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.614 ' HB3' ' SG ' ' A' ' 64' ' ' CYS . 96.8 m-20 -115.09 105.56 52.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 41.6 Cg_endo -69.2 -14.14 37.34 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.753 1.636 . . . . 0.0 111.152 -175.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.614 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 32.0 p -66.4 -16.87 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -102.65 5.21 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -109.96 132.39 54.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.68 142.65 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -110.29 120.14 41.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.1 mt -83.94 129.97 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -109.71 -34.31 6.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.215 -171.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -169.96 143.2 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 96.7 m-85 -100.11 147.34 25.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 168.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -105.44 -57.63 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -170.99 164.82 7.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -174.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.5 t -122.86 92.85 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.4 m -103.66 145.09 30.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 56.75 35.42 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 61.66 23.63 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.95 141.43 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 92.5 t -92.88 133.27 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.244 -175.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -119.85 121.54 39.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.232 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . . . -144.97 -174.57 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 -172.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.4 t -128.4 138.68 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.236 173.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.9 pt -129.53 168.73 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -145.19 160.01 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -110.16 -142.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.212 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.3 m -87.71 5.59 39.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -174.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t -146.67 -63.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.204 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -108.91 167.24 10.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -165.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -125.64 144.66 50.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.268 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.1 tt -149.69 150.14 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -175.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.6 152.49 42.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 p -138.3 141.22 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -111.28 153.35 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 171.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.436 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 88.8 m-85 -123.15 118.18 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.226 171.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 72.5 p -66.07 164.05 16.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.284 -176.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -58.61 -37.51 76.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.249 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.16 -42.0 94.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.8 t -59.67 -45.43 92.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.33 -52.75 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.232 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.5 m -57.64 -49.93 74.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.214 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.77 -46.18 90.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -56.71 -42.83 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.85 -40.7 91.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.232 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.31 -39.68 95.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.3 m -73.03 -49.33 29.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -104.05 -4.72 22.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -167.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.24 37.12 28.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 30.9 p -163.09 168.26 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.93 157.16 26.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.55 -27.66 43.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.4 p -85.16 -14.0 48.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 t -86.41 113.32 22.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -170.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.05 46.22 11.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 173.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.533 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 42.1 p -137.8 0.21 2.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.255 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.8 m -57.94 -29.87 65.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -125.69 22.07 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 90.3 m -102.43 173.61 6.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -175.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.1 tp -102.41 121.6 42.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 48.4 ttp -89.95 129.98 36.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.4 mm -101.33 107.74 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 168.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.62 139.96 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -164.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -115.9 -124.45 3.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -49.99 117.04 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 111.203 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.46 144.49 27.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.21 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -118.12 164.36 15.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 53.0 tp -93.89 126.73 39.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.13 124.95 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -84.34 137.47 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.262 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 20.9 m -123.98 151.2 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 50.2 p -86.86 167.52 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -51.13 -43.5 61.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.3 t -59.16 -49.61 77.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.89 -34.46 77.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.91 -39.34 79.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 79.0 mtm -74.12 -28.29 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.0 t -75.23 -59.88 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -89.9 -43.4 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -91.99 -20.26 21.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.224 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 65.63 31.78 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 31.7 mm -129.97 118.9 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 t -67.48 134.36 51.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.233 174.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 78.1 mt -79.89 -23.64 41.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.275 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.6 p -63.81 -19.81 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.264 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -97.36 -9.58 27.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.255 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.4 pt -129.97 -5.39 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 33.4 t -152.95 154.66 35.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 96.6 p -86.42 -4.05 59.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.92 157.11 27.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.249 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -96.1 16.24 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.85 127.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.5 m -134.21 152.88 79.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 -171.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.86 139.9 22.61 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.697 1.598 . . . . 0.0 111.201 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 96.0 t -132.44 139.85 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.187 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 49.7 tp -87.27 111.64 21.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -96.19 116.11 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.5 t -91.03 130.0 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.251 -172.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -101.45 -42.37 6.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -132.09 131.87 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -170.53 150.23 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 46.7 p -128.72 159.91 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.204 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 74.5 mt -127.47 130.99 70.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -174.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -130.13 150.45 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -80.85 68.02 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 95.6 mt -101.8 -51.97 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.294 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -123.73 117.94 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -64.52 129.83 41.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 55.6 t -109.3 143.68 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.254 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -178.282 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.805 0.336 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.46 -31.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.231 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 178' ' ' TYR . 4.5 m-30 -80.74 -16.96 52.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.226 -178.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.33 -36.82 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -176.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -110.44 23.18 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 -179.437 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.872 0.368 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -99.09 159.22 30.73 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -55.48 149.32 48.16 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.738 1.625 . . . . 0.0 111.148 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -129.26 -40.37 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.22 -43.41 88.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.55 -35.7 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.35 -17.92 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.58 -18.44 62.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -51.01 -39.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.97 -33.9 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -97.01 -21.25 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 -178.139 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -72.7 139.42 47.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.0 m -127.75 -15.92 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.251 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 86.4 mt -123.97 119.04 26.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.278 172.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.94 157.1 13.78 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.797 1.665 . . . . 0.0 111.225 -177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -74.06 133.99 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.215 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -108.18 162.56 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.214 172.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.8 p -118.7 170.79 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -50.26 -39.9 46.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.33 -27.14 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.219 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -82.95 -41.71 18.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 159' ' ' GLN . 94.8 mt -68.98 -33.15 73.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.91 98.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 mt -136.82 75.94 48.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -58.45 -35.27 98.88 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.625 1.55 . . . . 0.0 111.234 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -75.92 -9.51 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.4 mmm -99.87 2.6 43.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.433 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 26.6 t -113.06 107.61 54.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.248 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 56' ' ' SER . 60.1 Cg_endo -65.83 -26.83 51.98 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.65 1.567 . . . . 0.0 111.242 175.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 m -59.38 -42.02 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.9 mt -74.65 -47.75 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.6 -38.95 93.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -169.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 p -92.12 3.97 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -171.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -126.38 109.02 23.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.82 -23.0 31.89 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.801 1.667 . . . . 0.0 111.134 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.5 m -48.31 -36.29 13.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.193 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -99.48 15.54 26.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -114.23 132.87 55.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.245 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.8 139.9 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -112.11 113.74 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.286 174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.13 134.48 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.6 p -113.32 -36.91 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -169.93 149.61 3.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 96.3 m-85 -108.86 150.06 28.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 169.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -104.41 -59.09 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -169.97 178.84 3.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.95 112.14 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.206 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.77 144.17 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 55.9 34.95 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.176 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 63.7 24.35 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -125.16 140.37 52.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.5 t -95.66 130.81 43.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.241 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -114.64 117.01 29.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . . . -144.78 179.55 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.212 -170.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.8 m -128.43 146.88 50.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 172.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.5 pt -131.27 169.67 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.504 ' HD2' ' O ' ' A' ' 88' ' ' SER . 61.7 ttp85 -139.97 164.86 28.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 173.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -119.09 -138.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.225 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -63.98 -26.95 68.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.504 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 49.9 p -137.03 -89.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 -173.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -81.5 162.05 23.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -162.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -101.13 163.5 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.8 tt -153.78 148.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.8 mt -83.2 146.31 28.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -130.07 136.62 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -121.31 124.55 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.225 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -93.88 124.37 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.207 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.6 p -66.7 160.01 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -174.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -56.16 -39.93 73.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.47 -44.61 93.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 96' ' ' SER . 49.0 t -55.11 -50.98 67.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.51 -50.38 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -56.32 -49.88 73.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.2 -47.09 78.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -52.69 -44.11 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.276 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.74 -24.95 66.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.79 -38.8 22.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.23 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 79.0 p -85.09 -24.41 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -174.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.492 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 54.8 m80 -109.96 -10.78 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.215 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 56.88 32.19 21.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 29.9 p -163.44 166.15 23.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.27 156.15 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.39 -25.57 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.4 p -83.31 -16.43 46.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.5 t -92.69 114.17 26.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -170.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 61.38 50.19 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.233 171.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 68.9 p -130.5 -9.81 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.9 m -57.69 -41.85 82.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.278 -171.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -106.81 24.71 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.6 m -115.26 165.01 13.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.22 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.9 tp -91.93 133.59 35.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 52.3 ttp -110.68 132.47 54.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -176.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.7 119.96 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 91.0 mt -103.14 142.96 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.252 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.11 156.76 26.2 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 46.4 t0 44.79 73.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 111.235 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . . . -134.8 139.22 44.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -131.25 153.57 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.8 mt -88.57 135.32 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.12 139.44 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.247 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -82.22 121.54 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -169.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.1 139.88 40.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.2 p -83.97 162.96 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -174.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -51.89 -47.06 64.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.1 t -57.61 -48.76 78.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.87 -30.11 70.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.41 -37.13 77.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.6 mtp -69.85 -39.28 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.3 t -72.59 -51.32 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -98.98 -49.57 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -167.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -77.73 -16.73 58.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 65.41 33.16 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.223 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 141' ' ' ILE . 19.5 tt -159.25 125.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.0 t -64.55 145.97 55.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.8 mt -75.71 -6.14 49.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.234 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 95.0 p -66.68 -19.28 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 171.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.45 10.73 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 176.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.9 mm -119.86 -49.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 77.1 p -152.33 -169.87 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.0 p -91.35 -0.85 57.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -100.36 160.03 14.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -109.99 -2.06 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.9 mt -138.5 121.27 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.218 171.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.1 m -135.84 143.38 44.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 -171.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.06 121.39 5.34 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.759 1.639 . . . . 0.0 111.218 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.3 157.58 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 42.1 tp -89.43 111.52 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -91.58 109.98 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 94.0 t -104.24 131.13 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -169.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -99.94 -40.11 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 173.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . 0.465 ' HB3' HD11 ' A' ' 50' ' ' LEU . 13.1 mm100 -114.25 137.12 52.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -159.49 148.8 18.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.0 t -147.44 157.31 43.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.9 mm -125.91 130.14 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -131.04 139.85 50.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -94.68 15.62 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.23 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.43 -45.3 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -114.54 111.59 21.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.18 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -71.29 150.05 45.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -121.72 163.03 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.482 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -178.56 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.15 -15.96 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -65.14 -22.1 66.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.16 -5.14 29.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -110.02 11.08 24.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.142 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--O 1.201 -1.479 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 177.512 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.793 0.33 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -64.72 155.02 83.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 173.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.44 152.42 82.0 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.694 1.596 . . . . 0.0 111.23 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -142.4 -17.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.2 -39.83 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.92 -39.89 82.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.98 93.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.79 -43.54 97.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.27 -46.82 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.227 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -46.36 89.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.16 -39.22 89.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -178.69 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -63.02 134.25 55.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -120.9 -13.2 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.26 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.6 mt -117.37 130.27 24.77 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 173.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -53.18 147.08 36.49 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.697 1.598 . . . . 0.0 111.197 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.0 t -65.36 130.51 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 -176.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' HA3' ' A' ' 123' ' ' GLY . 10.4 tp -73.32 136.73 44.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 175.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.4 p -93.97 170.71 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.33 -37.9 88.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.46 -38.07 88.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -65.02 -44.42 89.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.6 tp -55.11 -49.87 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.94 -49.34 68.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.7 mt -136.9 79.46 38.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.24 -173.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.44 -28.91 31.94 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.663 1.575 . . . . 0.0 111.282 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -82.01 -3.6 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.267 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.4 mmm -110.5 16.88 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.222 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -133.4 124.51 18.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -53.07 -30.11 48.13 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.247 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.4 m -52.32 -33.99 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.221 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.7 mp -95.24 -46.7 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.81 -36.2 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.214 -167.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.0 p -105.67 12.41 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -126.81 106.48 22.77 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.35 -28.16 61.56 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.763 1.642 . . . . 0.0 111.154 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.61 -15.23 60.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -176.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -99.99 17.46 20.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -127.44 108.43 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.198 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.34 147.97 49.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.55 118.38 33.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.19 126.18 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.7 p -96.13 -29.14 14.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 -174.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -170.33 140.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.172 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -95.74 145.39 25.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -102.67 -55.02 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -174.9 164.02 3.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.22 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.26 117.22 50.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.245 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.92 138.61 50.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.176 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 55.04 35.87 25.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.206 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 63.09 28.07 15.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -122.53 122.88 39.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.0 t -83.34 134.09 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -120.71 121.74 38.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.72 -174.71 4.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.258 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.1 t -128.31 141.0 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.5 pt -131.88 156.3 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -139.65 160.21 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -112.23 -140.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.2 m -101.19 16.58 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.1 t -138.67 -65.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -128.07 174.44 9.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -172.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -130.3 139.51 50.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.224 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.1 pt -134.05 174.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.174 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.448 ' HB2' HG22 ' A' ' 154' ' ' VAL . 97.8 mt -90.08 156.54 18.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.203 169.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.5 p -139.85 145.39 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -135.35 143.67 46.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.418 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 88.8 m-85 -115.94 132.63 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -174.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 60.2 p -71.05 164.89 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.237 -176.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.89 -40.07 87.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.233 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.28 -42.96 99.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.9 t -56.24 -53.99 50.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.04 -42.48 95.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.255 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -50.48 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.213 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -63.39 -45.71 89.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.189 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.38 -52.16 64.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.173 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.62 -40.03 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.263 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -57.3 -46.72 82.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 83.4 m -75.26 -47.66 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 -175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -92.99 -10.03 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 -169.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 52.98 43.55 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.5 p -157.1 169.82 23.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -86.73 167.51 14.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.8 tp -66.01 -19.94 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 57.9 p -97.62 -9.62 26.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.7 t -96.29 123.21 39.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.236 -173.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 59.92 37.76 21.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.7 p -123.1 -18.21 6.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.192 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -61.46 -41.09 96.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.6 p-10 -98.33 20.87 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.94 169.83 14.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.26 140.91 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 172.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 56.8 tpp -89.14 130.17 35.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.83 113.19 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.2 mt -101.75 134.1 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.43 ' HA3' ' HB2' ' A' ' 45' ' ' LEU . . . -145.49 164.49 28.06 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.2 t0 49.69 62.46 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 111.097 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.92 145.09 45.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 -169.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.3 150.08 48.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 59.9 tp -104.29 120.61 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.1 m -132.69 -174.85 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -127.28 143.17 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.05 156.74 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -95.11 176.26 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -51.49 -52.37 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.216 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.6 p -66.71 -35.97 81.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -176.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -65.67 -34.24 77.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.3 -35.95 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.3 mtp -64.91 -32.0 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 41.6 t -77.55 -58.05 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -84.89 -53.4 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -171.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -81.71 -15.24 55.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 65.41 32.8 9.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.4 tt -156.24 129.04 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.1 p -69.79 159.63 33.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 82.5 mt -103.69 -38.0 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 70.4 p -65.51 -19.32 65.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -101.98 -8.23 21.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.3 mm -120.01 -59.69 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -175.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 148' ' ' SER . 89.9 p -84.45 -19.94 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 147' ' ' SER . 19.6 m 67.78 17.23 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -174.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -123.27 152.96 40.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -79.23 -44.43 21.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 42.4 mm -109.75 128.44 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.22 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 76.3 t -132.48 133.62 23.83 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -61.85 140.19 84.06 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.734 1.623 . . . . 0.0 111.203 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 92' ' ' LEU . 78.7 t -133.29 131.45 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.202 175.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 53.5 tp -93.32 114.42 26.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -91.53 120.01 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.198 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 80.6 t -115.86 118.84 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 -168.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -94.92 -23.17 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -135.27 139.95 44.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.203 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.09 152.76 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.0 t -148.78 -178.16 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.262 172.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 6.3 tp -143.11 140.7 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -169.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -153.58 140.15 18.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.257 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -72.51 110.45 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.206 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 91.3 mt -130.16 -49.52 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -151.15 121.68 7.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.26 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 65.8 tt0 -57.65 133.14 55.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 99.5 t -102.53 130.14 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.526 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 88.0 t -80.01 -44.83 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 172.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -65.88 -19.92 66.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.76 -32.92 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -119.4 26.77 9.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 52.3 tp . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -176.437 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.2 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -127.71 157.07 74.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -51.06 116.64 2.78 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.701 1.601 . . . . 0.0 111.207 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -133.75 -22.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.64 -38.24 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -55.08 -52.14 64.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 172.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.36 88.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 tp -53.25 -51.72 61.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.245 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.39 -50.27 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.244 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.75 -44.22 85.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -171.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.72 -16.82 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -174.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -178.28 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.585 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -48.54 135.22 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG23 HG13 ' A' ' 42' ' ' ILE . 33.4 m -100.0 -19.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -174.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.418 HG13 HG23 ' A' ' 41' ' ' VAL . 89.5 mt -120.35 117.31 31.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 171.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -54.57 154.88 18.55 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.747 1.632 . . . . 0.0 111.224 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -72.39 161.63 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -121.86 153.55 38.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.1 p -89.72 169.08 11.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.95 -39.93 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -69.61 -39.1 77.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.05 -50.02 74.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.202 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.5 mt -71.71 -30.07 65.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.5 mt -137.42 77.0 41.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.235 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -58.21 -37.77 93.98 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.697 1.598 . . . . 0.0 111.213 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -77.32 -10.12 59.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -174.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.6 mmm -101.09 -0.02 37.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -118.0 109.41 41.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -54.78 -32.16 75.46 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.695 1.597 . . . . 0.0 111.198 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 m -52.48 -33.18 43.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.9 mt -97.34 -49.33 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.2 tp -54.46 -47.17 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.214 -169.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.2 p -100.11 10.09 41.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.22 -168.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -123.65 107.25 31.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.39 -30.07 61.55 Favored 'Trans proline' 0 C--N 1.327 -0.589 0 C-N-CA 121.699 1.6 . . . . 0.0 111.236 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 96.6 m -68.95 -18.43 64.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -170.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -99.89 9.95 42.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -170.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -160.23 165.12 32.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 172.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.73 177.87 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 -173.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -110.94 142.85 42.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.252 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.4 mt -92.29 134.7 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -105.09 -37.35 6.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 179.63 143.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 82' ' ' ALA . 84.0 m-85 -97.54 136.78 37.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 167.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -100.46 -57.35 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -170.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -160.01 159.69 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -170.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.1 t -131.93 127.39 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 29.7 p -158.71 159.67 35.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 55.12 31.05 15.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 66.19 20.5 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -138.81 160.01 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.79 141.85 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -164.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -117.96 123.6 46.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 72' ' ' PHE . . . -147.12 -174.42 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 -175.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 t -131.88 143.9 50.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 174.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.1 pt -130.53 168.41 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.189 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -145.0 160.34 41.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.195 -175.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -130.78 -152.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 170.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.1 m -65.62 -25.63 67.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.246 -174.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.4 p -100.1 -110.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -102.47 -170.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -111.49 179.32 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -170.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 tt -160.08 146.74 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 173.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.21 144.32 53.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.248 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -135.0 137.12 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -118.34 119.84 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -93.69 117.0 29.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 80.8 p -65.23 163.86 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -173.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -55.36 -40.03 70.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.75 -45.76 93.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 96' ' ' SER . 49.5 t -56.79 -47.7 79.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 177.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.26 -49.64 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.248 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.6 m -57.29 -50.32 73.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.05 -48.52 75.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' A' ' 111' ' ' ILE . 37.6 t80 -53.91 -45.58 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.6 -39.97 76.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.11 -36.98 86.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 78.0 m -69.95 -50.04 45.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.7 m-70 -100.75 -6.22 25.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -170.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 54.78 40.42 31.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.237 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 28.4 p -161.48 170.0 20.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.36 144.08 33.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.2 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.412 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 15.7 tt -67.03 -19.9 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.206 -179.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.9 p -86.78 -12.32 48.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 t -92.03 123.14 35.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 54.99 42.2 31.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 172.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.564 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 0.6 OUTLIER -149.94 9.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -179.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.8 p -69.83 -14.97 63.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -140.01 40.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 74.4 m -126.67 176.31 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -171.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 65.6 mt -95.39 142.09 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.2 ttp -131.32 141.43 49.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.192 -171.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.425 HG12 ' HB2' ' A' ' 163' ' ' PHE . 43.8 mm -103.26 133.82 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 168.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 37.5 pt -128.59 148.81 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -157.0 164.28 32.7 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.8 t0 48.96 77.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.263 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.25 149.93 40.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -174.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -129.9 172.8 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.6 tp -109.03 132.46 54.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.65 162.3 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -119.51 131.0 55.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.27 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.2 m -122.97 159.51 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 63.5 p -78.64 164.78 24.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 -172.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -50.02 -45.18 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 169.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.9 m -55.62 -47.63 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.86 -39.53 87.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.9 92.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.208 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.4 ttp -73.95 -40.35 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 177.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.3 t -69.04 -44.53 72.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 -174.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.61 -54.3 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.228 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 36.0 m-85 -78.11 -18.83 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 13.8 mmmm 74.57 20.13 2.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.229 176.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 40.5 mm -127.72 109.81 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.7 p -70.08 155.12 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 176.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.2 mt -105.44 -32.24 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -177.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 148' ' ' SER . 95.1 p -65.84 -19.88 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.16 -7.73 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -171.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.9 pt -120.78 -25.25 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -173.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 93.5 p -148.9 -19.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 -174.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 144' ' ' SER . 48.2 m 65.75 40.16 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.236 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -109.24 179.89 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.206 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -109.84 -31.67 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.7 pt -134.8 160.33 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.87 134.93 19.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.281 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.47 140.14 43.02 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.673 1.582 . . . . 0.0 111.214 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 86.7 t -138.97 133.77 41.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 52.6 tp -88.95 117.87 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -97.62 111.96 24.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 98.5 t -109.93 132.49 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -169.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -101.82 -32.93 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -117.19 131.61 56.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -154.92 150.96 27.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.9 t -157.13 162.91 39.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 176.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 95.8 mt -80.05 135.57 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.425 ' HB2' HG12 ' A' ' 121' ' ' ILE . 84.9 t80 -100.1 -53.61 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 176.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -166.11 168.69 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 42.8 pt -103.52 27.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -175.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -59.8 124.68 20.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.13 117.26 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -171.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 92.5 t -98.44 139.55 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.473 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.183 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.434 ' HA ' ' HB3' ' A' ' 179' ' ' LYS . 22.0 m-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.864 0.364 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.7 p -57.2 -20.14 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -110.36 -43.45 3.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.243 171.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 176' ' ' PHE . 62.8 tttp -60.39 -47.27 86.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.271 -171.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -115.99 36.88 3.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.199 -1.562 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 178.394 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.404 ' H ' ' HB3' ' A' ' 63' ' ' PRO . 94.2 mm-40 -110.0 159.16 32.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 172.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.39 118.37 4.79 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.737 1.625 . . . . 0.0 111.122 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -134.03 -17.89 2.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.4 mt -68.72 -32.97 57.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -63.76 -42.94 97.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.236 172.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -29.91 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.192 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD22 HG21 ' A' ' 41' ' ' VAL . 97.0 mt -54.36 -43.5 71.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.573 HD12 ' C ' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -95.12 -20.62 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.21 -175.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.9 -47.98 75.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.248 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.45 -19.83 55.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.237 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.191 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 90.4 m-70 -74.99 140.05 43.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 111.175 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG21 HD22 ' A' ' 25' ' ' LEU . 29.1 m -123.71 -19.08 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.208 -175.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.9 mm -108.96 122.32 40.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 172.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -54.08 150.43 31.61 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.738 1.625 . . . . 0.0 111.228 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 t -76.63 136.78 39.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -106.92 145.74 31.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.5 p -91.43 175.39 6.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.48 -41.44 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -67.13 -40.9 86.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.211 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.95 -42.56 85.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.58 -37.08 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.78 63.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.287 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.0 mt -131.31 69.88 82.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.22 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.26 -24.95 26.8 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.649 1.566 . . . . 0.0 111.194 -177.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -80.07 -6.01 56.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.4 mmm -109.41 8.55 25.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -117.91 106.38 45.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -55.61 -32.35 82.91 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.72 1.613 . . . . 0.0 111.164 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.9 p -67.18 -15.26 63.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.6 mt -99.85 -43.43 11.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 170.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.2 mt -57.77 -38.1 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 -173.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.2 p -103.97 17.41 24.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -129.72 105.13 17.11 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.209 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 88.0 Cg_exo -54.38 -29.88 60.58 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.729 1.619 . . . . 0.0 111.18 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.5 m -57.56 -30.06 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -171.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -88.09 -8.09 56.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.259 -172.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -94.83 132.42 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.92 140.41 25.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 168' ' ' VAL . 87.9 mttt -119.92 111.72 18.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 174.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.8 131.08 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.8 p -106.01 -30.63 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -174.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -170.05 140.68 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.282 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -94.69 147.11 23.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 168.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -117.7 -37.93 3.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.18 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -150.11 92.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.8 t -90.77 117.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 81.5 m -134.64 164.74 26.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -59.95 103.52 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.308 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 70.5 17.96 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.239 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 98.4 mttt -149.34 69.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.2 t -97.62 131.63 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.501 ' HB3' ' CD2' ' A' ' 139' ' ' PHE . 96.6 m-85 -118.16 124.02 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.35 -168.71 3.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -174.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.401 ' HB3' HD23 ' A' ' 92' ' ' LEU . 23.6 p -132.11 146.01 51.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 172.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.14 154.87 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.611 ' NH2' ' O ' ' A' ' 88' ' ' SER . 64.3 ttt-85 -128.48 147.33 50.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -106.29 -146.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 168.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -59.99 -41.97 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.611 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 42.5 t -120.35 -54.54 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -165.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -111.8 165.54 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -165.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.406 ' H ' ' HB3' ' A' ' 176' ' ' PHE . 20.2 tt0 -125.29 145.91 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 177.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 tt -140.23 141.07 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.425 ' HB2' HG22 ' A' ' 154' ' ' VAL . 77.1 mt -60.53 146.26 45.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 173.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.61 143.18 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -118.9 132.68 56.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.186 173.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.69 123.12 44.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 99' ' ' CYS . 59.3 p -70.68 164.16 25.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -46.23 -38.08 8.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.259 169.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.69 -52.23 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 157' ' ' VAL . 57.4 m -51.58 -50.56 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.13 -44.66 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.0 p -61.15 -33.9 74.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -61.37 -46.5 89.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.236 174.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -65.1 -29.86 70.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.168 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.9 -40.79 38.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.04 -58.79 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 93.1 m -72.34 -49.4 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -173.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.522 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 92.4 m-70 -90.01 -14.6 33.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.238 -174.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 48.42 47.16 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 27.6 p -158.46 175.9 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.194 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -79.97 154.53 28.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.236 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.02 -19.96 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.8 p -90.78 -12.54 36.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 t -90.0 140.26 29.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 52.1 53.69 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.3 m -124.93 -45.28 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.271 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.1 m -57.83 -45.95 85.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.197 -173.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -101.26 26.65 6.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.5 m -131.23 165.07 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.275 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.4 tp -113.96 129.91 56.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.209 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 56.2 ttp -92.87 138.58 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.1 mm -116.38 125.86 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 171.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.9 pt -113.09 154.46 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 -171.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.84 155.37 26.17 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 48.5 t0 54.55 71.81 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.28 138.74 53.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 10.1 t0 -110.44 134.74 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.6 tp -89.0 127.41 35.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.36 177.68 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -130.0 139.98 50.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 174.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 24.2 m -125.22 154.68 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.215 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.6 p -92.6 168.8 10.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -49.98 -46.37 52.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.4 t -59.31 -50.05 75.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -59.99 -40.37 88.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.46 98.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.255 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.3 mtm -69.34 -30.05 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.7 p -85.7 -26.39 25.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 68.2 m170 -105.69 -63.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.501 ' CD2' ' HB3' ' A' ' 81' ' ' TYR . 73.2 m-85 -79.91 -19.98 46.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.233 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt 70.03 35.21 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 141' ' ' ILE . 17.6 tt -149.7 124.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 178.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.2 t -65.08 142.52 58.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.56 -20.96 42.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 96.1 p -68.29 -13.78 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -95.08 -11.93 27.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.227 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.9 pt -131.45 6.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.9 t -159.57 152.7 22.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 94.7 p -81.5 -13.07 58.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -111.25 166.63 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.275 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -97.67 9.38 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -176.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -135.88 146.22 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 173.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.34 155.82 67.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.75 147.65 45.18 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.734 1.623 . . . . 0.0 111.177 173.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 92' ' ' LEU . 87.0 t -138.24 137.31 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 37.3 tp -97.74 116.24 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -96.23 100.12 11.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.219 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.463 ' O ' ' SG ' ' A' ' 99' ' ' CYS . 75.7 t -94.1 126.28 46.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -170.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -85.12 -48.68 8.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -114.22 134.98 54.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.53 130.99 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.5 p -130.98 158.96 38.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 171.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 90.3 mt -129.85 127.91 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -131.5 154.12 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.223 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -73.8 72.48 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 92.6 mt -104.5 -42.06 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -158.13 125.6 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -64.76 156.2 31.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 68' ' ' LYS . 84.8 t -78.64 135.08 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.406 ' HB3' ' H ' ' A' ' 90' ' ' GLN . 79.6 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.74 0.305 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.4 -20.14 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 -176.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -57.58 -25.6 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -73.08 -6.33 44.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -96.57 4.65 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.201 -1.493 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 177.479 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.714 0.292 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -70.42 156.1 92.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.242 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.36 142.45 54.72 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.709 1.606 . . . . 0.0 111.165 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -142.39 -22.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.192 -173.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.71 -50.05 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -55.75 -54.57 42.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.48 96.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.6 tp -61.89 -40.97 97.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 -175.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.21 -53.04 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -62.85 -40.46 97.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -173.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.05 -29.05 69.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 -175.569 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.527 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -77.01 160.98 28.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 111.207 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.06 -21.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.26 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.3 mt -120.3 120.97 29.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -55.02 154.82 20.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.704 1.603 . . . . 0.0 111.213 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -74.88 142.27 44.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -175.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.5 mt -108.37 146.85 32.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.4 p -101.34 176.11 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.208 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.59 -41.79 66.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.6 -38.07 88.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -68.11 -40.13 82.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.5 mt -76.25 -35.5 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.12 -40.29 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.282 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 mt -127.78 71.16 77.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.195 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.64 -26.21 33.56 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.752 1.634 . . . . 0.0 111.15 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -78.15 -7.1 56.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.2 mmm -109.94 16.5 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 174.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.2 t -125.53 97.98 35.58 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -55.55 -31.95 80.82 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.693 1.595 . . . . 0.0 111.212 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.6 p -64.13 -20.31 65.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -93.2 -49.45 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 172.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.44 -30.06 70.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -167.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.7 p -95.04 3.54 54.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 -174.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -125.99 106.61 25.4 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.55 -27.13 58.22 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.674 1.582 . . . . 0.0 111.198 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.0 m -64.95 -16.61 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 -175.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -95.69 21.16 8.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -136.85 146.45 45.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -160.2 160.79 33.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -121.24 134.77 55.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.418 ' HA ' HG22 ' A' ' 84' ' ' ILE . 10.2 tp -68.46 145.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -115.12 -38.8 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -172.22 143.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.87 142.85 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 168.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -114.63 -56.64 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.222 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.443 ' OD1' ' SG ' ' A' ' 76' ' ' CYS . 59.5 t-20 -129.06 98.81 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.8 t -103.77 112.66 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.443 ' SG ' ' OD1' ' A' ' 74' ' ' ASN . 85.1 m -130.07 175.94 8.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 178.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.464 ' HA ' ' NH1' ' A' ' 110' ' ' ARG . 88.5 m-20 -59.91 102.48 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -178.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.416 ' HB3' ' HA ' ' A' ' 97' ' ' GLN . 78.1 m-85 66.48 20.34 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -141.27 89.71 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.26 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.4 t -110.38 125.4 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.228 -175.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -115.48 118.59 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.235 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.07 -172.27 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -171.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -134.02 140.87 46.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.418 HG22 ' HA ' ' A' ' 69' ' ' ILE . 2.6 pp -128.43 172.41 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -149.24 165.91 30.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -106.49 -149.97 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 161.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -74.75 -3.41 31.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -172.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.5 p -142.72 -65.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.198 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -93.17 159.64 15.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 -166.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -131.5 139.5 49.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -147.8 147.44 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.191 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.37 151.42 46.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.9 p -141.16 137.73 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -116.85 136.98 52.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.211 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -108.35 113.71 26.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.275 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.0 p -71.33 170.64 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -173.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 65.7 tt0 -56.21 -43.8 78.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.95 -40.03 94.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 96' ' ' SER . 36.4 t -57.28 -52.62 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.57 -42.86 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.8 m -57.91 -52.95 63.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.276 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.81 -44.24 90.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.88 -43.03 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.91 -40.01 75.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.212 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.27 -35.06 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.6 m -79.44 -50.96 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -109.71 3.54 21.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.23 -168.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 56.23 37.27 28.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.1 161.33 31.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.464 ' NH1' ' HA ' ' A' ' 77' ' ' ASP . 82.7 mtt180 -80.12 161.15 25.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.1 mm -47.9 -43.89 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 95.1 m -68.36 -32.37 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.3 t -79.58 128.96 34.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -170.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 60.13 45.74 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 171.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.448 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 52.5 p -133.53 -2.04 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 175.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 98.2 m -53.12 -47.75 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -174.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -116.62 29.89 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 83.3 m -117.58 138.12 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 46.5 tp -71.86 128.24 35.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 175.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 98.0 mmm -95.49 145.26 25.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.234 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 71.3 mt -108.79 136.02 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 170.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.8 mt -114.8 132.44 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -136.4 153.5 21.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.6 t0 44.12 72.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 111.176 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 156' ' ' ASN . . . -132.23 144.07 50.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.227 -174.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -132.44 131.72 42.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.9 mt -80.92 125.73 30.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 174.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.0 159.93 42.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.297 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -90.67 129.88 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.2 m -124.98 160.12 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 171.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.1 p -86.3 166.13 15.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -171.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -50.08 -45.51 52.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 168.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 71.6 m -55.74 -46.24 77.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.63 -39.14 88.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.74 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.0 tpp -80.03 -47.92 14.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.3 p -73.61 -25.83 60.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 -169.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -110.28 -44.76 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.172 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -107.47 2.61 24.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 52.13 40.24 28.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.4 tt -142.97 130.23 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 70.6 m -65.35 137.75 57.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 54.2 tp -109.09 -48.33 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.4 p -70.68 -10.01 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.238 -175.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -103.96 2.39 32.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 49.1 pt -128.11 -19.98 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.6 p -121.11 179.94 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 91.3 p -100.83 3.11 41.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -120.07 168.0 11.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -107.66 -0.52 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.2 pt -128.88 147.83 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.9 p -143.81 136.6 13.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -174.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.96 139.97 64.12 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.751 1.634 . . . . 0.0 111.185 174.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.36 140.04 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.206 177.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 33.8 tp -91.52 110.11 21.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 -171.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' ALA . 54.4 t-20 -90.45 116.81 28.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.33 137.4 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 -169.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -109.96 -26.66 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -125.54 142.67 51.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.62 151.11 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.1 t -160.16 -179.61 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.205 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 98.4 mt -108.07 143.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.21 -176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -132.45 110.06 10.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -80.1 105.79 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.7 tp -162.11 -30.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -150.42 118.02 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.16 150.15 47.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.232 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 87.0 t -72.77 124.81 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.579 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.213 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.83 0.347 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.81 -43.98 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.214 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -72.42 -21.52 61.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -72.78 -33.3 66.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -100.06 25.49 7.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 -178.125 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.772 0.32 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -94.88 155.17 39.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.234 174.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.15 143.41 71.3 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.72 1.613 . . . . 0.0 111.247 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -144.7 -23.89 0.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -172.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.46 -50.58 79.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.98 -49.96 75.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.211 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.95 94.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.32 -41.09 98.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.6 -54.94 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 176.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.11 -43.59 74.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.53 -30.74 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.255 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 -173.715 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.501 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -89.22 160.93 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 111.22 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.6 m -114.59 -20.22 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.0 mt -119.9 120.0 30.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 171.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -55.01 153.87 24.15 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.727 1.618 . . . . 0.0 111.195 -175.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 t -72.17 140.5 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.3 mt -109.87 145.23 37.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.253 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.3 p -100.11 176.24 5.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.51 -42.19 70.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.45 -39.62 92.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -65.52 -43.71 89.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.19 -31.84 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.07 -45.63 66.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.8 mt -129.42 72.97 81.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.56 -25.78 29.16 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.692 1.595 . . . . 0.0 111.206 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -78.94 -9.92 59.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 97.5 mmm -104.93 4.1 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 t -119.08 106.86 42.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -54.95 -31.68 75.03 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.635 1.557 . . . . 0.0 111.141 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.7 p -64.24 -18.68 64.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -175.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.2 mt -104.1 -50.05 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.68 -38.65 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -168.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.3 p -101.61 14.58 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -173.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -127.72 104.16 21.39 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -56.61 -26.58 65.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.746 1.631 . . . . 0.0 111.179 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.9 m -64.89 -16.2 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.158 -173.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.07 9.79 42.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -125.71 149.57 48.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.6 160.02 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -119.27 144.57 46.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 176.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.44 ' HA ' HG22 ' A' ' 84' ' ' ILE . 96.6 mt -88.53 139.49 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -174.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.3 p -108.14 -38.51 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -176.84 141.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -92.99 143.1 26.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 168.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.71 -54.37 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -138.76 73.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.281 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 80' ' ' VAL . 92.4 t -79.04 114.61 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 176.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.1 m -130.0 174.24 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -50.88 99.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 61.96 23.42 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.183 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -140.03 89.94 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 75' ' ' VAL . 86.2 t -104.25 129.43 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -174.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.45 119.24 27.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.194 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.69 -173.61 4.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -172.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -128.79 143.13 50.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.44 HG22 ' HA ' ' A' ' 69' ' ' ILE . 2.5 pp -131.71 175.09 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 176.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -154.06 167.2 30.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -109.84 -144.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 166.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.0 m -85.7 9.5 16.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.1 p -150.62 -66.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -97.56 155.64 16.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -165.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -123.96 138.75 54.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.9 tt -148.3 149.75 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HB2' HG22 ' A' ' 154' ' ' VAL . 94.1 mt -70.28 150.23 46.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 178.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.39 139.44 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.241 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -128.28 151.83 48.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -121.58 127.78 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.261 -173.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 91.2 p -70.21 167.53 17.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -174.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.4 -41.51 89.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.12 -39.95 93.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 96' ' ' SER . 46.2 t -56.72 -52.67 64.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.97 -44.93 99.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.1 m -55.4 -52.41 63.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -65.0 -44.26 89.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.179 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -55.02 -47.31 74.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.01 -42.98 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.92 -37.1 85.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.3 m -71.05 -52.31 20.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.418 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.2 m-70 -99.85 -7.88 24.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.296 -169.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 53.73 42.49 31.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 23.2 p -155.13 172.54 17.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.11 164.01 23.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.6 tp -64.76 -19.9 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.5 p -96.15 -9.32 30.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.0 t -90.1 121.79 32.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -172.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 60.92 36.26 18.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.3 p -126.61 -21.42 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 92.7 m -58.03 -43.66 86.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -116.51 25.11 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.227 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.14 141.65 51.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.29 133.49 47.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.195 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 95.1 mmm -104.01 148.32 26.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -174.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 78.8 mt -109.82 136.63 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.203 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.6 mt -119.4 137.03 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.97 158.18 27.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.6 t0 44.61 70.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 0.0 111.232 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.24 146.43 48.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.223 -174.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -140.02 150.76 44.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.8 mt -91.28 132.77 35.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.1 m -135.21 149.24 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 174.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -92.6 131.13 37.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.74 160.93 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.9 p -88.75 166.77 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.194 -174.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -48.74 -46.79 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 169.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.5 m -54.53 -49.61 69.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.55 -38.89 92.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.83 -25.62 66.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.212 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.3 mtp -90.05 -30.04 17.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 85.2 p -85.94 -21.29 27.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -116.87 -42.54 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -108.63 -2.94 18.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -174.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 55.13 40.13 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 171.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.0 tt -149.11 120.08 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.7 t -70.47 144.98 51.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 88.5 mt -92.64 -34.09 14.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.212 -174.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.4 p -71.74 -10.08 59.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.289 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -105.67 1.71 27.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.7 pt -130.16 -15.17 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.254 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.2 p -141.97 -179.94 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.6 p -94.61 -0.13 54.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.168 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -122.69 162.72 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -108.62 17.04 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 85.6 mt -135.02 130.23 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 176.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.76 137.06 29.46 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.196 -171.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.06 140.1 40.75 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.723 1.615 . . . . 0.0 111.236 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.423 HG22 ' HB2' ' A' ' 92' ' ' LEU . 90.2 t -134.22 136.63 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.42 113.07 22.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.179 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -94.0 122.76 36.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.6 t -114.7 131.3 67.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -170.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.16 -36.04 9.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -117.2 136.32 53.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.57 151.27 25.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.259 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.9 t -160.04 165.14 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 84.1 mt -92.97 138.28 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -140.0 89.2 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.206 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -65.72 106.5 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.197 -178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 10.2 tp -152.32 -28.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -136.45 109.33 7.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 176.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.41 131.44 50.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.54 120.76 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.737 0.303 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 74.1 t -69.39 -49.19 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -69.19 -21.56 63.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -75.75 -35.26 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -99.76 29.2 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.227 174.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.739 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.844 0.354 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -79.46 153.9 76.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.17 152.79 56.63 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.652 1.568 . . . . 0.0 111.283 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -143.89 -23.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.23 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.55 -39.54 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.261 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -45.05 -62.97 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.205 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.57 95.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.227 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.2 tp -48.61 -49.98 34.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -85.26 -50.8 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.173 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.69 -39.94 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.193 -171.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -89.69 -9.26 50.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.23 -172.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -174.268 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.545 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -64.15 139.01 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 111.227 -178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -120.0 -61.56 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 91.2 mt -99.3 119.85 59.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -170.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -54.34 154.96 17.4 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.731 1.62 . . . . 0.0 111.23 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 m -69.04 143.83 54.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.246 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.56 149.96 33.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -88.05 171.16 10.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.8 -40.03 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.24 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.34 -40.04 77.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.22 -48.94 79.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.258 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.7 -30.15 66.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.42 71.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.8 mt -136.23 75.46 52.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.214 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -57.26 -37.02 99.01 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.676 1.584 . . . . 0.0 111.221 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -77.4 -6.29 52.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 -174.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.1 mmm -105.22 4.92 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.4 t -114.8 109.23 47.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.211 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -55.3 -33.27 84.42 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.691 1.594 . . . . 0.0 111.215 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.9 p -67.17 -16.99 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -99.57 -39.77 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.218 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.94 -37.91 74.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.2 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.3 p -98.44 10.04 41.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 -173.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -130.67 116.82 17.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.163 -177.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.13 -18.67 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.656 1.571 . . . . 0.0 111.234 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.2 p -65.96 -18.93 65.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -174.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -89.16 -3.94 58.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -109.89 131.98 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.58 141.54 37.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -106.01 106.22 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.5 mt -73.7 121.65 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.9 p -98.98 -29.47 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -179.19 141.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -104.26 159.83 15.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.167 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.66 -58.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -170.01 179.93 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -174.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.2 m -125.44 157.62 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 44.6 t -164.27 132.73 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 55.87 39.98 30.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 66.65 18.98 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.277 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -113.9 167.09 10.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.88 140.14 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.224 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -119.75 124.4 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.93 -177.63 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 -172.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.5 m -126.53 139.58 53.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 174.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.5 pt -128.0 168.35 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.435 ' HB3' ' HG2' ' A' ' 90' ' ' GLN . 36.5 ptt180 -149.28 171.02 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 175.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -141.95 -151.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 172.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -62.37 -29.21 70.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.3 p -98.22 -114.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -101.18 -175.79 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.252 -173.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.435 ' HG2' ' HB3' ' A' ' 85' ' ' ARG . 73.2 mt-30 -100.07 169.62 9.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -174.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -160.0 139.91 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.63 145.05 52.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 173.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -136.49 147.61 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.64 129.79 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.485 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 88.7 m-85 -105.23 134.27 48.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.209 -175.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.9 p -70.08 167.7 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -171.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -57.78 -40.08 78.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.195 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.41 -48.3 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 175.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 46.7 t -57.4 -53.15 61.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.68 -46.5 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -61.42 -52.09 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.214 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.95 -44.34 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -52.86 -52.42 57.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.263 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.91 -35.41 79.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.205 -171.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.12 -37.0 85.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.9 p -95.81 -24.48 16.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.9 m-70 -107.46 -12.75 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 50.13 45.92 25.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 31.2 p -160.77 171.3 19.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.79 141.44 40.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 17.4 tt -67.16 -20.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.6 p -82.18 -19.96 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.9 p -90.17 159.86 16.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 55.17 41.5 31.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 -177.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 41.7 p -111.53 -9.78 14.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.5 m -77.05 -59.44 2.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.4 p-10 -100.16 20.04 15.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.239 -173.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 64.9 m -129.94 164.93 23.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 68.2 mt -110.04 154.34 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.441 ' SD ' ' HB1' ' A' ' 160' ' ' ALA . 47.5 tpp -102.71 130.31 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.8 mm -103.41 110.44 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.249 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 89.9 mt -101.61 140.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.181 -169.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.05 161.13 27.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 175.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.0 t70 43.53 77.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.166 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.61 153.28 43.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -132.93 170.27 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.258 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.8 tp -102.43 132.29 48.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 34.5 m -132.34 174.23 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.185 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -113.15 142.89 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.207 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 78.1 t -132.58 137.56 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.186 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.1 p -92.82 170.5 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -50.5 -59.76 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 173.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.7 p -59.94 -35.44 74.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -174.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 21.1 tpp85 -70.53 -39.17 74.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.29 -25.53 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.247 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 97.8 mtp -73.39 -36.46 66.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 173.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.2 p -83.96 -25.73 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.276 -176.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -107.07 -64.16 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -79.16 -9.49 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 65.66 30.65 10.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.4 tt -149.62 123.9 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 -178.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.5 t -66.83 141.2 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.247 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.4 mt -82.08 -25.11 34.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 86.9 p -67.52 -17.01 64.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -84.68 -18.04 36.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.0 pt -136.32 19.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.8 t -163.3 153.9 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.225 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.4 p -85.62 -5.34 59.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -120.39 170.03 9.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.89 24.81 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.216 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.4 pt -129.44 157.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.6 p -158.06 132.56 5.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 174.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.67 141.16 30.49 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.66 1.573 . . . . 0.0 111.231 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 72.6 t -136.6 140.01 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.283 -173.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 54.6 tp -88.98 117.9 28.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -97.87 112.81 24.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 84.3 t -108.05 132.45 55.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.216 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -96.38 -31.11 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.97 140.29 38.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.441 ' HB1' ' SD ' ' A' ' 120' ' ' MET . . . -170.9 148.12 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.9 p -135.58 153.34 51.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.216 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 95.7 mt -108.25 137.63 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -174.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -137.13 144.08 42.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 175.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -73.34 74.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 91.6 mt -94.6 -45.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.209 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -161.01 151.1 17.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 61.9 tt0 -79.89 143.53 34.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 -178.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 56.4 t -113.49 144.34 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.767 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.82 0.343 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.52 -19.73 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.215 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -94.62 5.26 52.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -175.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -83.19 -15.82 49.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.248 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -103.27 8.24 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -177.775 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.789 0.328 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.425 ' H ' ' HB3' ' A' ' 63' ' ' PRO . 99.1 mm-40 -109.18 159.11 32.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 174.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.92 130.06 35.95 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.693 1.596 . . . . 0.0 111.178 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 70.2 p-90 -140.61 -21.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.4 mt -64.71 -53.43 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -174.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.19 -40.18 73.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.2 77.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.8 mt -72.55 -29.03 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.87 -49.88 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -60.37 -37.12 79.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.11 -27.96 64.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 -176.429 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.55 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -73.21 143.67 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.9 -13.84 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.9 mt -125.38 127.39 24.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -53.62 154.21 16.58 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.762 1.641 . . . . 0.0 111.246 -175.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.4 m -79.05 147.05 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.56 162.72 15.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.233 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.7 p -118.4 171.93 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.217 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.89 -40.01 55.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.74 -31.65 72.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -77.04 -34.65 57.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -79.59 -26.98 41.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.242 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.53 -41.69 60.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 175.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 mt -128.59 68.68 78.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.09 -26.03 31.11 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.682 1.588 . . . . 0.0 111.265 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -79.14 -3.6 46.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.8 mtp -118.5 18.81 13.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 174.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 t -121.86 100.08 43.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -54.99 -32.18 77.7 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.736 1.624 . . . . 0.0 111.179 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.3 m -53.56 -33.57 55.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.6 mt -89.07 -49.09 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 175.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.26 -37.37 86.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -166.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.6 p -97.37 7.42 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.207 -171.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -125.79 106.56 26.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 80.4 Cg_exo -54.46 -28.57 54.99 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.749 1.633 . . . . 0.0 111.218 178.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.8 m -64.14 -18.88 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -94.27 2.53 55.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.18 142.64 45.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.22 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.62 163.13 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.235 172.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -128.87 139.97 51.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.9 mt -84.14 135.71 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.233 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.5 p -105.13 -30.4 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -176.97 145.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -102.72 157.45 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 172.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -125.74 -36.84 2.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -174.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -147.1 89.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -94.02 115.86 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 84.9 m -135.06 163.63 29.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.272 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.424 ' OD1' ' NH2' ' A' ' 110' ' ' ARG . 78.4 m-20 -60.01 108.88 0.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 66.22 29.05 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 88.7 tttt -164.72 75.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -178.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.5 t -110.61 135.06 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 -172.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.472 ' HB3' ' CD2' ' A' ' 139' ' ' PHE . 97.8 m-85 -120.58 125.84 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 178.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.39 -173.08 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.9 p -127.3 138.23 53.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.218 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.7 pt -128.24 159.97 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -139.81 159.71 41.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.259 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -110.3 -141.64 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.224 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 m -95.13 15.42 19.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t -142.27 -64.89 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -126.22 -178.14 4.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.198 -167.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -127.84 143.55 51.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 tt -137.98 142.88 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.235 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.12 149.66 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 175.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.1 p -135.06 140.09 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -175.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -116.0 133.65 55.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 172.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.85 111.18 23.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.3 p -71.23 168.74 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.271 -174.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.66 -40.32 79.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 173.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.51 -46.92 87.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.04 -56.45 20.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.4 -43.01 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.8 t -61.87 -53.42 56.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.09 -47.17 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.264 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -55.01 -46.47 75.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -69.97 -36.01 74.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 -173.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.44 -38.47 91.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.2 p -90.38 -29.99 17.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -173.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -112.24 -4.94 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.186 -173.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 54.02 42.45 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.2 p -164.6 174.53 10.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.424 ' NH2' ' OD1' ' A' ' 77' ' ' ASP . 93.8 mtt-85 -78.3 155.7 30.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -175.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.3 tp -58.45 -23.24 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 59.5 p -90.53 -17.21 27.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.7 m -60.04 110.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.266 -172.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 60.92 31.96 19.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.486 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 67.4 p -119.19 -23.6 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 172.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.2 m -57.76 -35.16 70.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.223 -177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -116.51 20.2 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.486 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 75.4 m -130.54 -170.86 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.212 -176.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.8 tp -92.86 129.49 38.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.5 ptm -110.24 154.96 22.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.41 ' HB ' HG22 ' A' ' 161' ' ' THR . 44.0 mm -111.42 142.72 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 176.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 82.9 mt -120.56 132.84 69.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.28 158.05 27.59 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.3 t0 52.05 54.85 10.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -124.27 145.6 49.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -169.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -127.84 165.86 19.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 21.3 tp -107.48 133.99 51.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.9 m -137.78 144.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -98.58 132.67 43.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.199 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.2 m -123.79 158.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.5 p -96.91 173.2 7.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -53.13 -46.62 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 173.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -58.27 -47.74 82.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.217 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.43 -37.53 87.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.08 74.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.265 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.2 mtm -77.25 -29.95 54.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.214 175.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.4 m -79.78 -32.94 40.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.191 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -107.63 -61.63 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.472 ' CD2' ' HB3' ' A' ' 81' ' ' TYR . 70.1 m-85 -77.34 -16.53 58.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 66.43 33.55 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 141' ' ' ILE . 6.3 tp -148.84 121.16 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.9 t -62.75 138.46 58.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.09 -24.1 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 89.2 p -61.9 -19.85 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -97.11 -12.45 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.5 pt -137.27 19.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -175.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.9 t -170.78 156.49 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.174 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.6 p -90.31 -5.33 56.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 174.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -122.37 153.84 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -90.03 -7.58 53.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 90.3 mt -125.42 121.36 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 174.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.92 147.7 66.47 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 -172.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.88 145.01 49.55 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.723 1.615 . . . . 0.0 111.194 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.39 136.81 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 53.1 tp -95.84 118.17 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -99.37 122.0 41.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.3 t -111.46 141.47 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 -170.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -121.67 -23.37 5.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -125.66 139.79 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 172.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.74 151.14 16.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 121' ' ' ILE . 14.5 t -145.31 -172.71 3.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 169.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 14.1 tt -120.94 130.64 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -165.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.422 ' HD1' ' HA ' ' A' ' 163' ' ' PHE . 1.3 m-30 -122.21 141.83 51.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 170.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.8 p-10 -99.08 20.35 13.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 173.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.89 -50.33 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.259 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -128.42 102.74 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -173.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -74.69 159.9 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.16 144.96 29.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.219 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.528 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.327 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.89 0.376 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.43 -26.49 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -70.28 -30.04 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.06 -32.85 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.211 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -126.43 30.92 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.3 tp . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 -175.037 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.814 0.34 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -91.91 159.27 38.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.91 142.22 74.52 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.702 1.601 . . . . 0.0 111.221 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -149.79 -28.73 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 -172.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.408 HG22 HG21 ' A' ' 177' ' ' VAL . 97.3 mt -64.79 -49.32 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -171.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -58.0 -52.44 65.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.1 95.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD11 ' HB ' ' A' ' 41' ' ' VAL . 30.2 tp -56.8 -49.95 73.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.66 -46.73 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -58.02 -40.36 80.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.94 -15.03 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.162 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.235 178.036 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.568 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -133.14 159.01 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.195 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.419 ' HB ' HD11 ' A' ' 25' ' ' LEU . 35.7 m -117.27 -18.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 98.4 mt -118.97 123.14 29.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 172.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -55.39 154.32 24.58 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.632 1.555 . . . . 0.0 111.202 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.5 t -74.77 135.75 41.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.88 147.77 27.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.6 p -84.89 168.51 14.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.44 -40.2 68.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.269 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.86 -40.11 75.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -57.96 -48.95 78.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.21 -27.33 60.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.173 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.7 87.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.6 mt -134.02 76.69 63.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.29 -37.43 97.78 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.708 1.606 . . . . 0.0 111.211 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -76.14 -10.19 59.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.2 mmm -100.83 3.75 42.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 t -119.29 101.9 48.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -54.19 -33.33 74.41 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.674 1.582 . . . . 0.0 111.205 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.5 m -54.05 -36.84 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.58 -49.26 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.269 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.68 -40.77 80.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.201 -170.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.0 p -90.75 1.47 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -171.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -125.5 110.35 25.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -68.15 -16.53 44.61 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.693 1.595 . . . . 0.0 111.177 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.5 m -62.91 -22.86 67.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.255 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -90.82 -4.95 56.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -107.54 148.3 29.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.59 151.65 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -114.66 121.61 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.217 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.0 mt -78.94 126.97 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.1 p -94.6 -43.6 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -177.09 149.34 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -99.42 149.48 23.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -107.52 -51.99 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -158.49 149.21 20.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.19 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.0 p -135.85 139.19 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 172.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 52.5 t -159.22 127.73 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.19 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 55.66 40.87 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 65.49 19.85 11.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -113.05 108.19 16.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 176.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -103.89 140.65 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.244 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -118.94 122.6 42.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.33 -177.58 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 -172.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 t -125.03 141.18 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.2 pt -130.02 160.69 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -144.69 145.16 31.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -103.77 -149.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 170.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.4 m -70.71 -23.12 62.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.7 p -103.28 -106.88 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -101.02 -176.6 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -119.22 159.98 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -172.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.4 tp -146.21 150.71 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.55 143.45 48.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.235 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.44 148.71 28.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -133.52 152.34 51.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -120.85 138.11 54.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.218 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 59.6 p -70.14 159.47 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.279 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -50.97 -44.1 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.49 -39.26 91.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.7 t -51.6 -58.04 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.78 -42.52 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -174.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.1 m -54.84 -49.84 70.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.58 -45.37 90.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 111' ' ' ILE . 44.9 t80 -50.94 -46.43 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.62 -42.28 91.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.17 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.87 -40.07 95.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.9 m -72.05 -49.61 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.454 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 96.6 m-70 -98.18 -7.42 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.222 -168.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 54.45 38.83 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 31.5 p -160.26 167.78 26.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.92 144.17 33.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.403 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 14.0 tt -70.05 -12.94 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -177.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.9 p -99.64 -9.45 23.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.261 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -97.54 115.81 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -172.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 59.89 46.63 10.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 64.6 p -127.64 -7.9 5.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.223 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.4 p -72.54 -17.54 61.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -173.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -114.71 21.76 14.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.0 m -117.97 170.61 8.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.2 mt -98.93 146.66 25.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.267 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 62.8 ttp -118.82 134.41 55.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -175.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.21 119.93 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.2 pt -115.2 152.69 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.277 -170.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.59 162.32 29.57 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.6 t0 51.78 70.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.8 148.12 51.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 -174.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -135.24 170.07 16.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.7 mt -99.64 134.68 42.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.7 t -129.73 129.72 66.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.41 120.0 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.214 172.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.5 m -123.94 148.96 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 172.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.3 p -93.03 168.69 10.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.254 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -49.5 -41.91 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.3 p -58.33 -33.45 69.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.18 -35.45 36.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.268 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.03 -37.99 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.5 tpp -79.9 -45.66 18.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.232 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.3 t -66.89 -42.4 85.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -172.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -109.69 -47.02 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 -169.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -85.5 -12.52 51.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.227 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 65.14 35.55 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 20.0 tt -152.84 129.79 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.5 t -60.05 132.89 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.23 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.11 -29.52 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.7 p -62.83 -21.41 65.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -174.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -99.35 -14.28 19.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.256 -173.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.1 pt -120.8 -0.81 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 148' ' ' SER . 53.5 p -152.87 -34.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 169.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 147' ' ' SER . 20.0 m 68.55 24.35 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -174.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -120.11 172.75 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -86.34 -27.02 24.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 90.0 mt -130.1 140.56 48.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.14 134.49 13.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.92 133.03 16.22 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.75 1.634 . . . . 0.0 111.205 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 32.8 m -127.84 160.82 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.1 tp -98.68 120.27 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.236 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -104.42 120.59 41.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 176.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.6 t -110.19 126.98 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -174.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -81.41 -40.43 23.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -134.31 140.01 46.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -162.51 149.16 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 44.5 p -132.61 161.29 34.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 170.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 87.8 mt -131.84 131.95 61.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.226 -173.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.43 140.7 49.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -77.73 97.24 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 80.9 mt -120.56 -73.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -105.02 135.11 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -64.08 129.97 42.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.19 136.36 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.227 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.539 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -177.173 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.794 0.331 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.408 HG21 HG22 ' A' ' 22' ' ' ILE . 50.3 t -56.4 -50.54 71.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -64.54 -45.17 88.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.97 -37.11 66.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -119.85 34.75 5.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.453 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.875 0.369 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -71.6 149.54 93.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.172 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.71 133.92 59.78 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.776 1.651 . . . . 0.0 111.197 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -140.15 -20.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 175.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.5 mt -69.68 -40.05 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.47 -49.44 77.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 171.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.32 -36.93 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 176.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.0 tp -61.0 -50.17 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 pt -76.43 -19.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.27 -43.69 69.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.69 -26.93 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 -177.627 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -136.77 152.74 50.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.6 t -111.31 -40.06 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.6 mt -119.95 119.71 30.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -54.58 153.51 23.32 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.733 1.622 . . . . 0.0 111.212 -175.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.2 t -70.58 132.75 45.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.51 146.66 23.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.4 p -85.71 170.1 12.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.3 -40.04 67.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 172.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -68.44 -40.55 81.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.48 -46.38 90.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.21 -36.82 77.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.85 -41.28 83.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.5 mt -137.3 74.8 47.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.87 -22.28 27.18 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 121.677 1.584 . . . . 0.0 111.203 -177.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -80.36 -5.62 56.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 96.1 mmm -108.52 17.32 22.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.264 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -121.9 88.34 47.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 86.9 Cg_exo -52.54 -30.76 46.06 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.653 1.568 . . . . 0.0 111.216 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.0 m -49.92 -45.65 51.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.2 pt -94.66 -22.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 -175.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 95.4 mt -66.49 -21.45 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.2 p -105.54 17.62 23.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 175.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.424 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 62.2 t-20 -139.76 102.33 7.08 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.236 -179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -61.78 -20.44 69.14 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.698 1.599 . . . . 0.0 111.189 -174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.424 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 88.4 m -60.58 -24.56 65.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 -173.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -89.28 3.22 52.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 -175.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.72 139.92 50.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -176.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.37 153.11 31.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.236 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -111.67 101.64 10.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.204 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.36 125.53 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 173.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.7 p -102.12 -29.91 11.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.2 tttt 179.98 142.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -176.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -101.36 160.04 14.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -108.01 -54.67 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -173.23 179.92 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -176.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.6 t -129.0 126.65 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.0 t -149.48 143.26 25.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.198 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 59.72 31.22 20.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 64.8 21.54 12.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -178.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.66 147.41 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.5 t -104.88 123.86 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 -176.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -105.13 119.94 40.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.83 -174.48 4.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -125.96 141.07 52.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.3 177.3 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.411 ' CB ' ' HG2' ' A' ' 90' ' ' GLN . 13.1 ptm180 -160.0 170.44 21.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -130.03 -149.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 165.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.3 m -84.92 4.36 33.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -174.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.1 t -129.17 -67.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.263 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -119.1 159.53 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -166.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.411 ' HG2' ' CB ' ' A' ' 85' ' ' ARG . 53.1 mt-30 -113.04 150.03 32.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 174.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.3 tt -151.22 144.57 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 -174.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.4 148.95 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.194 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 p -137.23 140.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -119.59 124.12 45.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 85.5 m-85 -98.75 119.85 38.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.532 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.9 p -67.24 168.48 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -174.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -56.81 -42.05 78.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.29 -44.42 84.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 50.2 t -58.14 -60.56 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.218 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.94 -30.39 49.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.229 -175.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.1 t -64.47 -53.55 46.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.39 -42.13 92.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.223 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -54.32 -43.59 71.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -69.99 -39.97 75.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.217 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.03 -36.62 82.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 176.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.9 m -74.47 -50.3 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -108.46 0.88 21.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -168.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.12 38.64 30.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.24 163.48 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.22 159.42 23.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.48 -23.15 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.1 p -85.31 1.15 49.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.0 p -77.1 -129.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.9 68.26 9.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.246 -171.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 54.3 p -127.12 -13.03 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -75.95 -10.29 59.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 -171.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -124.92 20.04 8.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.7 m -121.94 165.02 16.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -178.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 60.4 tp -92.8 122.9 35.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -108.42 148.52 30.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -167.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' A' ' 161' ' ' THR . 46.6 mm -110.05 133.25 56.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.35 139.48 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.26 155.63 25.7 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 40.7 t0 49.12 60.27 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 0.0 111.212 177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.12 150.33 49.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -140.05 154.47 47.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.7 tp -77.1 129.07 35.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.0 -170.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -139.88 159.08 42.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.0 p -124.98 136.88 59.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 173.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 65.4 p -89.98 157.62 17.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -53.53 -42.92 67.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.8 t -63.82 -50.51 68.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -55.78 -43.94 77.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 177.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.84 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.248 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 58.4 ttm -65.71 -40.88 92.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.151 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.4 t -81.33 -67.56 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.292 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.82 -57.9 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -80.5 -14.74 58.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -173.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 66.7 30.94 7.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.7 tt -154.16 120.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.7 t -64.77 150.34 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.7 mt -84.13 -9.94 58.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.8 p -70.28 -10.33 58.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.27 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -92.01 -10.71 38.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.5 pt -129.91 -7.91 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.214 -175.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 91.1 p -149.97 160.72 43.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 92.3 p -98.11 1.78 47.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 172.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -116.56 172.95 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 175.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -95.8 7.57 45.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -172.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.6 pt -133.76 143.91 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.1 t -137.31 136.6 20.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -57.04 136.75 78.55 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.701 1.601 . . . . 0.0 111.217 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 53.5 t -139.38 146.92 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 55.2 tp -100.09 127.01 46.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 174.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -100.03 114.07 27.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.2 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 84.3 t -109.87 143.74 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.251 -173.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.25 -22.11 4.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -177.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -126.71 140.13 52.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 170.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -153.47 150.02 28.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.424 HG22 ' HB ' ' A' ' 121' ' ' ILE . 13.0 t -159.16 -179.44 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 172.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 93.6 mt -107.6 134.91 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -99.85 -54.09 3.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -159.29 174.47 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 -173.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 43.6 pt -97.8 31.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.15 127.29 30.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -61.1 138.79 58.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 22.6 m -110.17 168.11 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.244 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.535 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 178.375 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.74 0.305 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.89 -23.58 33.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -90.26 -50.4 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.285 174.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -53.95 -38.27 64.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.162 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -114.63 28.0 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 -177.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 -179.762 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 tp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -81.9 158.0 68.26 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.233 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.89 161.65 44.78 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.679 1.586 . . . . 0.0 111.237 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.9 p90 -149.99 -26.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.235 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -51.13 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.226 -169.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.03 -44.56 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.04 75.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.234 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.06 -33.46 76.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 -173.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.5 -59.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 177.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.58 -37.47 87.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -170.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -64.12 -26.15 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -174.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -82.7 156.82 23.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 0.0 111.209 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG23 HG13 ' A' ' 42' ' ' ILE . 35.3 m -118.08 -18.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.224 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.409 HG13 HG23 ' A' ' 41' ' ' VAL . 95.3 mt -115.46 115.04 42.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.27 172.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -55.1 154.87 20.83 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.755 1.637 . . . . 0.0 111.198 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.5 p -73.18 160.05 32.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -124.05 167.59 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.0 p -118.93 168.25 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -49.41 -40.0 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.26 -32.35 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.21 -177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -75.37 -43.62 49.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.72 -27.84 62.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.97 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -131.82 73.35 78.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.29 -26.64 29.58 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.65 1.566 . . . . 0.0 111.22 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -80.3 -9.99 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.273 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.8 mmm -104.09 -0.2 28.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.0 t -120.97 109.18 35.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.259 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -53.88 -30.45 58.11 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.687 1.591 . . . . 0.0 111.204 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 m -50.12 -35.89 27.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.7 mt -100.01 -48.64 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.81 -41.38 70.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -169.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.9 p -104.97 14.41 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -170.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -128.31 102.36 21.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.5 -27.94 61.82 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.652 1.568 . . . . 0.0 111.226 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.9 m -59.98 -24.31 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -93.15 9.75 34.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.189 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.3 166.24 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 174.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.43 145.94 18.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 171.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -101.6 121.1 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.4 mt -81.78 134.98 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.2 p -111.58 -40.05 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -176.85 147.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 82' ' ' ALA . 58.2 m-85 -101.04 143.69 30.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 169.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -110.46 -50.11 2.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.256 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -134.4 153.04 52.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.198 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -146.53 121.54 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 61.4 m -130.18 175.29 9.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 174.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -76.24 -11.94 60.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -115.5 -33.39 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -175.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 99.0 mttt -146.24 139.8 26.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -175.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.416 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 96.5 t -126.67 139.41 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 174.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -121.82 118.04 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -174.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 72' ' ' PHE . . . -143.16 -177.28 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.14 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.4 t -126.63 139.9 52.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.9 pt -129.64 -176.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -158.84 169.32 24.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -117.03 -138.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 168.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 m -106.25 13.41 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.6 t -120.72 -54.36 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -162.95 -178.42 6.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -92.96 172.44 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.4 tt -165.65 139.21 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 170.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.48 148.24 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.89 137.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -174.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -120.51 126.31 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.714 ' HB3' ' HG ' ' A' ' 99' ' ' CYS . 83.8 m-85 -99.79 133.42 44.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 76.9 p -74.71 168.43 19.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.251 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -56.62 -40.05 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 171.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.1 -46.92 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.18 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.714 ' HG ' ' HB3' ' A' ' 95' ' ' PHE . 51.2 t -55.97 -50.94 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 176.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 68.4 t -55.19 -49.96 67.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.6 m -57.83 -48.42 79.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -57.7 -44.96 86.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -58.52 -51.93 67.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.205 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.28 -31.5 71.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.81 -29.94 69.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -103.38 -22.43 13.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.179 -171.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.63 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 76.8 m80 -109.56 -22.47 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 -176.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 48.94 48.27 20.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 27.8 p -162.78 -176.42 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.87 144.34 37.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.5 tt -68.71 -14.7 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.3 p -97.25 -9.11 28.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.221 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.8 t -90.85 116.7 28.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -172.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 60.07 44.02 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.221 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 49.0 p -130.09 -14.73 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.2 p -70.51 -13.58 62.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 -168.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -129.06 20.09 5.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 82.3 m -110.01 138.43 46.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.6 tp -63.53 143.68 57.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 174.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 33.5 ttp -124.25 144.11 50.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.287 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.0 mt -113.74 126.2 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 70.9 mt -114.47 147.63 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -169.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.73 152.53 24.25 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 43.4 t0 50.37 76.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -141.3 147.79 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -129.93 168.4 16.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.218 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.7 mt -111.89 133.97 53.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.06 153.6 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -91.88 139.53 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.0 m -125.0 157.43 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.7 p -90.92 174.81 7.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -174.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -53.31 -53.61 48.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.5 p -55.04 -42.77 73.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 42.3 mmt180 -60.1 -49.58 77.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.63 75.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.8 mtp -72.35 -43.3 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.5 p -79.99 -21.59 43.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.212 -173.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -105.1 -42.7 5.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.267 -174.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 97.0 m-85 -117.75 -10.3 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -171.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 89.7 mttt 71.08 35.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 88.8 mt -129.02 111.75 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.1 t -69.75 132.34 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 169.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 80.3 mt -95.18 -36.58 11.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.3 p -72.78 -12.52 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.174 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -109.45 14.99 23.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 19.8 tt -143.16 -15.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.235 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.3 p -145.04 167.96 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 94.0 p -83.61 -18.68 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -107.23 151.69 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -102.67 10.91 38.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -129.14 145.76 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.259 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.6 m -139.41 151.67 67.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.24 145.39 30.6 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.731 1.62 . . . . 0.0 111.216 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.17 135.05 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 45.0 tp -86.6 110.22 19.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -85.84 112.45 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 96.8 t -109.86 127.18 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -169.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -91.93 -50.42 5.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -111.29 136.54 50.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.191 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.69 138.69 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 88.4 m -133.25 129.83 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 91.5 mt -101.52 129.76 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 -174.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -117.44 151.17 37.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 -172.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -100.04 19.89 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 40.2 pt -81.1 -12.16 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -157.43 121.62 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.228 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -83.04 150.09 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.2 m -130.62 164.39 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.508 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -178.034 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.86 -20.04 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -99.15 -23.07 15.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.06 -37.41 61.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -110.93 12.49 22.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.253 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.1 tp . . . . . 0 C--O 1.2 -1.545 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 179.903 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 5.3 mp . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.856 0.36 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -105.81 158.05 33.28 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -53.96 128.61 30.42 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.747 1.631 . . . . 0.0 111.204 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -158.43 -37.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.03 -39.12 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.224 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -52.81 -51.44 60.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 173.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.18 90.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.52 -42.72 98.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.173 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.3 mt -65.56 -39.95 86.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.211 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.89 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.212 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.97 -34.33 77.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 178.354 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.571 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -125.84 159.62 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 111.234 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.5 t -90.27 -39.71 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.4 pt -133.47 60.77 49.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -176.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -81.2 -3.78 12.28 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.708 1.605 . . . . 0.0 111.2 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -66.45 -24.37 66.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 mt -78.13 145.51 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.8 p -117.36 178.71 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.96 -36.82 77.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -67.92 -38.62 83.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.225 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -62.38 -46.61 87.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.08 -28.04 61.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.92 99.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 mt -131.07 78.99 72.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -60.55 -34.94 92.03 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.753 1.635 . . . . 0.0 111.173 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -74.9 -6.93 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.9 mmm -109.81 14.55 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 173.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 t -130.56 95.23 27.25 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.223 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.95 -32.05 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.683 1.588 . . . . 0.0 111.222 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -52.91 -37.4 60.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.0 mt -80.88 -50.09 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.244 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.6 -35.08 76.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.216 -166.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.9 p -94.58 -5.72 45.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.22 -169.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -120.04 123.82 28.17 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.457 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . 74.1 Cg_endo -79.29 -13.22 13.85 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.696 1.598 . . . . 0.0 111.196 -172.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.6 p -73.59 -6.58 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.215 -171.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -97.26 -9.5 27.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.226 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -99.86 143.83 29.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 -174.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.82 143.79 24.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.96 106.19 14.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.439 ' HA ' HG22 ' A' ' 84' ' ' ILE . 96.9 mt -66.06 134.43 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.224 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.5 p -107.93 -31.15 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 -177.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -169.93 140.11 2.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.01 145.39 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 166.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -105.88 -50.01 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 -175.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -168.64 164.38 12.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.82 121.6 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 174.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.64 ' HG ' ' HE2' ' A' ' 81' ' ' TYR . 31.1 p -160.88 164.25 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 56.64 31.68 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 62.25 24.37 14.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.223 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.84 147.47 52.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.35 132.57 57.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.64 ' HE2' ' HG ' ' A' ' 76' ' ' CYS . 66.1 m-85 -116.06 117.46 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -172.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.16 -178.55 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -173.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -132.63 145.72 51.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.439 HG22 ' HA ' ' A' ' 69' ' ' ILE . 2.3 pp -130.11 156.4 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 -176.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HG2' ' HB2' ' A' ' 90' ' ' GLN . 99.0 mtt180 -117.8 159.08 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.276 169.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -138.38 -160.81 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 174.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.4 m -70.06 -19.94 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.226 -173.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.4 p -98.26 -79.56 0.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.195 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.73 -171.96 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.311 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.427 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 57.3 tt0 -97.88 141.76 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.209 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.5 pt -142.23 175.1 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 170.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.55 162.01 13.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.0 140.0 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -125.24 120.83 32.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -96.53 117.15 30.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.173 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.5 p -70.37 167.3 18.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 -176.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -55.46 -39.89 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.68 -45.39 94.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.173 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.5 t -56.4 -51.56 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 178.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.06 -49.09 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -57.87 -49.09 77.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.195 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.01 -43.69 91.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -55.55 -41.75 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.68 -44.45 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.91 -34.91 73.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.5 m -78.7 -53.83 6.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.218 -176.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -105.98 1.47 26.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 -167.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 57.13 35.31 26.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.8 p -162.21 172.26 16.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.8 158.08 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.8 tp -62.59 -21.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.7 p -89.18 -2.21 58.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m -76.36 70.22 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 50.17 55.6 9.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.229 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 61.8 p -102.5 -1.39 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 174.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.6 m -57.1 -40.47 77.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -99.57 30.25 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.7 m -127.39 149.67 49.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 173.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.5 tp -76.02 120.16 20.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.186 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 65.4 ttp -99.43 135.27 41.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.19 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 83.7 mt -119.98 121.84 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.9 pt -111.81 160.05 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.179 -170.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.67 160.79 28.96 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.1 t70 54.85 40.16 31.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.195 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -101.63 149.14 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -124.1 161.42 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.205 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.5 tp -103.58 127.59 50.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 -174.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.05 -177.24 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -127.5 146.01 50.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 175.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.3 p -126.7 145.88 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 174.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.9 p -94.59 165.39 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -50.04 -57.45 7.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.5 m -59.34 -41.68 89.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.19 -174.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -69.08 -50.57 47.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.72 -31.03 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.14 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 67.3 ttp -54.41 -37.33 64.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.0 p -113.96 -13.75 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 -171.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -100.1 -50.64 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -93.56 -3.19 53.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.162 173.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 61.21 34.28 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.695 ' O ' HG23 ' A' ' 141' ' ' ILE . 8.7 tp -156.68 103.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 90.9 p -60.59 154.66 20.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.42 -32.48 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -171.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 88.3 p -74.57 -9.88 59.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 -176.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -105.9 3.03 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.4 pt -128.72 -12.92 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 52.1 p -146.2 179.91 7.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 92.1 p -91.16 -0.1 57.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -116.58 151.78 35.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.283 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -103.95 6.07 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.243 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -135.0 134.23 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.75 133.98 20.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.66 149.99 79.32 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.685 1.59 . . . . 0.0 111.209 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 84.7 t -131.54 139.91 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.33 116.07 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 170.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -95.37 107.63 19.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.206 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 82.0 t -101.77 138.82 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -166.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -110.91 -23.02 11.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.176 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -140.95 141.82 34.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 175.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.92 146.58 20.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 82.6 p -139.29 170.08 16.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.192 172.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 49.1 mm -101.36 136.01 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -91.87 -60.03 1.97 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.205 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -166.35 163.55 17.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.99 133.15 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -160.77 98.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -54.97 133.24 48.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -173.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 49.2 t -124.05 140.15 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.178 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 179.157 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.98 -42.49 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -56.14 -34.86 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -176.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.9 -31.51 60.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -120.25 27.53 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.246 -178.397 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.809 0.338 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 p -100.77 1.47 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.25 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -51.05 144.08 9.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.205 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.0 p -86.45 7.83 24.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.6 m -67.19 -13.72 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -91.21 4.93 51.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 tp -94.34 94.15 8.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' H ' ' HB3' ' A' ' 63' ' ' PRO . 81.3 mm-40 -117.93 157.2 49.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 178.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -55.07 136.31 72.52 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.701 1.601 . . . . 0.0 111.174 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -150.32 -28.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.89 -49.94 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.72 -57.21 12.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.61 79.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.6 tp -61.67 -46.6 89.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.29 -31.39 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.54 -42.82 86.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -73.86 -15.28 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -124.6 43.67 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.5 p -78.72 -9.96 59.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -82.14 80.06 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -72.44 -15.59 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.22 -171.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -90.96 -13.57 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -110.06 -30.01 7.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -77.52 136.89 38.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.22 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -59.95 132.25 89.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -53.55 -36.64 81.14 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.762 1.641 . . . . 0.0 111.2 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.8 m -110.05 22.33 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.16 112.88 5.35 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -71.38 138.61 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.161 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.88 -22.34 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 -173.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.5 pt -130.76 158.71 74.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.01 155.55 54.86 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.715 1.61 . . . . 0.0 111.182 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.3 t -76.96 129.25 35.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.227 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.58 155.98 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -99.78 171.34 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.73 -31.76 69.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -68.52 -40.64 80.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.92 -40.38 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -68.74 -33.11 73.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.33 -43.45 81.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.0 mt -137.78 73.14 47.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.226 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.53 -26.13 14.38 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.717 1.611 . . . . 0.0 111.224 -177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -80.23 -4.41 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.0 mmm -113.78 10.03 17.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -112.66 107.59 54.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.88 -36.03 90.51 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.706 1.604 . . . . 0.0 111.234 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.9 m -53.01 -37.91 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.233 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -84.62 -43.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.23 -37.84 81.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 -172.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.7 p -90.49 0.18 57.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -122.29 98.31 44.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 71.8 Cg_exo -54.85 -25.04 41.38 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.665 1.576 . . . . 0.0 111.205 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.1 m -59.4 -27.15 65.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -175.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -81.4 -16.83 51.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -87.55 136.61 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 -176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.86 159.63 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -124.23 142.18 51.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.7 mt -94.38 128.94 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.2 p -107.72 -28.19 9.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -179.97 147.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -110.9 160.34 16.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -108.0 -61.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.248 -175.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -169.96 177.79 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 -171.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.29 129.89 65.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 49.7 t -148.16 139.96 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.227 -175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 58.1 35.04 24.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.217 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 64.98 21.0 12.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -122.74 138.74 54.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -94.72 131.92 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.214 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CE2' ' HB3' ' A' ' 138' ' ' HIS . 96.9 m-85 -114.35 114.84 26.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.65 -178.76 5.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.6 t -125.99 131.61 52.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 pt -130.74 164.67 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -151.2 -175.87 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -138.91 -150.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 172.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.6 m -66.08 -20.19 66.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.2 p -106.84 -108.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.216 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -98.59 173.5 6.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -163.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' H ' ' HB2' ' A' ' 176' ' ' PHE . 30.2 tt0 -115.76 144.9 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 -173.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.8 tt -147.27 148.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.79 152.3 43.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.8 p -137.94 137.57 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -116.55 129.83 56.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -102.24 117.39 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.223 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 79.6 p -64.22 163.03 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -174.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -55.6 -40.14 71.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.2 -46.05 91.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 174.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.4 t -56.62 -48.34 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.73 -50.13 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -56.89 -50.0 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.76 -46.88 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.205 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.99 -45.66 71.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -40.96 95.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.16 -39.07 91.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.5 m -73.75 -50.04 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.523 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.8 m-70 -102.62 -9.15 20.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -167.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 54.87 40.13 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.523 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 28.8 p -161.64 176.12 11.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.249 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.02 158.72 17.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.83 -17.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 76.6 p -101.64 4.25 40.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.2 m -70.23 84.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 46.23 60.02 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.0 p -112.47 2.74 16.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.235 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.9 p -78.38 -5.48 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -171.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -124.14 19.94 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.64 168.42 9.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.17 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.2 tp -107.69 124.13 49.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.1 ptm -110.06 158.56 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -169.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.0 mm -126.7 132.35 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 173.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.3 154.4 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.56 154.55 25.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.4 t0 52.75 45.79 28.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.163 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -107.68 152.51 24.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.0 164.83 23.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 153' ' ' PRO . 59.4 tp -108.76 129.77 55.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.6 p -143.9 139.52 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -96.09 137.0 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.1 m -125.55 161.26 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.4 p -97.6 178.0 5.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -57.02 -55.74 30.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.5 p -59.53 -33.49 71.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 57.0 mmm-85 -66.21 -51.82 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.5 -30.17 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.199 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 66.4 ttp -70.03 -39.94 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.228 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 96.0 p -85.58 -22.57 27.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.411 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . 68.5 m-70 -103.27 -63.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -176.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -80.09 -9.41 59.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 69.18 30.85 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 141' ' ' ILE . 6.8 tp -149.13 120.02 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.9 t -65.25 143.38 57.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.2 -20.38 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.6 p -58.79 -23.16 59.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -174.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -99.98 -11.83 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.6 pt -137.82 32.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.2 p -162.61 164.72 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 176.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.0 p -104.18 -10.63 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 170.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -129.89 154.82 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -77.18 -15.27 59.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.9 mt -122.71 121.65 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.9 m -132.78 151.74 78.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.404 ' HB2' HD11 ' A' ' 127' ' ' LEU . 78.8 Cg_endo -75.86 144.63 27.74 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.648 1.566 . . . . 0.0 111.211 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 79.4 t -136.95 142.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.74 127.55 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -108.38 110.73 22.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.64 133.53 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 -170.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -106.37 -29.74 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.227 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -119.88 132.67 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -149.31 143.89 26.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.1 t -150.06 138.28 20.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 94.2 mt -125.67 127.6 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.186 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.88 145.7 51.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -76.96 71.85 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 96.6 mt -101.42 -58.66 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -115.88 118.18 32.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.22 130.93 49.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 44.7 t -113.26 140.89 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -74.54 170.56 53.69 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 90.1 p -79.3 165.62 23.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 111.211 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.481 ' O ' HD23 ' A' ' 171' ' ' LEU . 10.2 tt -73.27 102.37 3.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 85.8 p -69.33 157.7 36.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 38.1 p -86.34 65.08 8.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -163.61 120.49 1.18 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -74.11 151.61 44.47 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.721 1.614 . . . . 0.0 111.183 177.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.418 ' HB2' ' H ' ' A' ' 90' ' ' GLN . 97.5 m-85 -119.17 -67.6 0.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.52 -33.85 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 178' ' ' TYR . 5.7 m-30 -86.95 -8.34 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -97.9 -29.47 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.224 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -119.93 36.75 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 -177.774 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.814 0.34 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -115.2 19.17 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -52.89 140.87 23.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.3 p -77.0 -8.9 58.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.211 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -51.5 -41.33 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -101.24 4.81 42.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.57 8.29 43.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.249 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -70.01 157.58 89.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.179 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -53.1 141.52 57.64 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.657 1.571 . . . . 0.0 111.232 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -139.66 -16.09 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 177.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.8 mt -75.84 -34.24 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.197 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.66 -39.97 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 169.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.93 84.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.195 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.17 -44.14 97.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.01 -47.63 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.99 -47.03 86.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.23 -36.9 81.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -116.34 39.47 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.192 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.6 p -68.5 -21.42 64.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -111.24 33.71 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.238 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -70.72 163.18 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -104.46 169.51 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -56.74 109.99 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 -176.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 66.95 23.04 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -83.29 120.4 75.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.05 152.37 31.46 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.682 1.588 . . . . 0.0 111.221 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.6 m -120.05 170.39 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.232 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.46 -165.44 16.56 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -66.17 137.79 57.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.174 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.7 m -121.82 -13.06 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.1 mt -118.94 129.8 25.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -53.07 151.03 22.3 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 121.734 1.623 . . . . 0.0 111.157 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.0 t -64.38 136.58 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.217 -173.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' HA3' ' A' ' 123' ' ' GLY . 9.7 tp -85.4 140.07 31.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.21 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.8 p -101.89 170.26 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.95 -36.51 84.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.76 -37.63 88.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.71 -45.85 92.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.25 -48.5 78.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.167 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.34 -47.18 68.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.5 mt -135.98 77.09 50.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -173.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -68.96 -26.14 31.7 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.657 1.572 . . . . 0.0 111.213 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -84.05 -3.69 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.2 mmm -110.21 14.07 22.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 t -117.69 107.58 44.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -53.91 -35.52 80.37 Favored 'Trans proline' 0 C--N 1.328 -0.535 0 C-N-CA 121.734 1.623 . . . . 0.0 111.206 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.2 m -54.56 -36.12 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.7 mt -83.78 -44.15 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.255 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.38 -31.1 70.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.189 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.7 p -102.47 10.83 38.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -130.94 113.35 16.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.64 -17.85 42.76 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.651 1.567 . . . . 0.0 111.175 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.5 m -64.54 -19.32 65.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -96.66 14.98 23.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.172 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.22 136.92 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.96 144.49 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -110.45 109.0 19.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.5 mt -75.31 123.09 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -97.38 -20.45 17.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -170.06 141.4 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.268 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.18 144.19 27.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 167.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -101.06 -59.74 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -170.4 170.23 7.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 -177.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.68 114.49 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.0 140.0 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 54.89 34.61 22.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.219 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 64.05 25.73 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.06 125.14 47.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.53 134.55 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -117.75 121.85 41.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.51 -177.81 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -175.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -127.88 139.83 52.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.2 pt -130.91 148.52 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.3 ptt85 -130.11 160.03 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.215 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -112.34 -141.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 167.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.0 m -101.22 17.5 22.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.193 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 t -139.13 -64.43 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -129.32 168.48 16.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.244 -172.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -125.0 139.08 54.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.0 pt -132.05 174.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.46 ' HB2' HG22 ' A' ' 154' ' ' VAL . 97.9 mt -92.43 156.56 17.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.206 170.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.53 142.54 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -132.06 142.14 49.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -114.95 128.27 56.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 73.9 p -65.9 162.48 18.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -175.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -55.5 -40.03 71.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.237 174.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.95 -42.58 94.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 96' ' ' SER . 43.2 t -55.32 -52.21 64.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 175.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.99 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.6 m -56.58 -50.09 72.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -63.43 -45.37 91.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.213 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -54.96 -48.8 72.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.03 -42.9 79.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.65 -39.2 93.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.22 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -70.91 -49.63 43.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.246 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -99.73 -9.58 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -168.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 54.43 42.67 31.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.168 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.8 p -155.52 167.06 31.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.67 165.49 20.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.9 tp -65.48 -20.0 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.3 p -96.7 -9.68 28.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.1 t -96.6 124.13 40.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 60.04 37.81 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.6 p -124.61 -19.54 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.0 m -60.06 -41.54 92.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.5 p-10 -98.71 21.01 11.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 72.1 m -129.5 170.12 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.2 mt -100.48 138.71 37.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.251 172.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.0 tpp -85.35 129.15 34.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.235 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 43.1 mm -105.45 101.37 12.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.0 mt -98.81 137.28 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.487 ' HA3' ' HB2' ' A' ' 45' ' ' LEU . . . -147.63 170.59 28.35 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.8 t0 41.25 67.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.239 -171.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.74 145.22 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -124.83 150.02 46.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 49.4 tp -101.13 129.69 47.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.217 -174.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.1 177.22 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -127.6 139.37 52.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.58 160.1 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.1 p -91.74 176.75 6.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.255 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -50.1 -56.46 10.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 172.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.6 p -66.98 -35.95 81.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -59.99 -48.17 82.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.04 85.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 67.1 ttp -55.92 -39.86 72.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.233 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.0 t -75.94 -55.62 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -75.01 -50.01 17.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 -171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -97.05 -1.89 44.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.211 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt 66.34 30.05 9.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.5 tt -152.33 119.94 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 94.4 p -70.35 160.23 32.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.02 -36.86 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.198 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 80.8 p -75.72 -10.1 59.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.156 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -104.6 -0.84 27.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.252 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 47.2 pt -122.85 -18.73 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.8 p -148.25 177.49 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 98.6 p -91.17 0.47 57.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -119.61 150.25 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -116.42 -11.44 11.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 81.8 mt -88.97 96.95 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -120.88 131.5 24.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.36 144.01 32.17 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.7 1.6 . . . . 0.0 111.222 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' A' ' 92' ' ' LEU . 84.7 t -134.69 131.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 48.6 tp -93.76 110.62 22.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -88.0 114.12 24.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 81.1 t -107.41 125.93 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 -170.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -87.81 -41.59 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -133.47 143.51 48.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.246 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.88 20.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.4 t -139.11 -170.37 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 173.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 6.4 tp -140.62 146.66 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 -173.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -158.96 140.58 13.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.22 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -77.33 111.42 12.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -173.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 86.0 mt -131.58 -50.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -143.07 117.14 9.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.224 -173.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 66.0 tt0 -57.24 133.48 55.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.213 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 67.7 t -104.28 130.14 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.239 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.92 176.05 54.81 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 85.3 p -79.95 178.45 8.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.752 0.311 . . . . 0.0 111.236 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.7 129.44 41.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 88.1 p -151.12 173.67 14.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.247 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 88.7 m -55.52 120.18 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -159.54 137.07 7.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -51.38 136.9 47.92 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.729 1.619 . . . . 0.0 111.19 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.91 160.59 15.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.06 -49.72 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -68.6 -20.09 64.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -74.55 -35.9 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -120.43 33.37 5.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 40.9 tp . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -178.106 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.811 0.339 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -113.08 12.85 19.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.15 140.55 55.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.198 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 94.9 p -87.04 -3.12 59.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.62 -39.9 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -100.51 12.46 37.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.5 mt -114.47 19.13 16.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -64.66 159.0 65.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.239 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.71 130.22 36.07 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.713 1.609 . . . . 0.0 111.185 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -137.35 -21.5 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.26 -40.99 88.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.07 -53.71 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.254 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.93 -40.06 75.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tt -56.92 -59.97 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.269 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.6 pt -73.95 -20.1 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -77.49 -51.39 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.79 -30.56 70.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.262 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -110.94 35.16 3.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -65.29 -25.26 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -79.94 71.69 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -69.25 -15.8 63.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -79.09 -17.06 55.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -109.85 -19.89 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -55.07 126.0 22.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.206 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -59.98 127.49 85.74 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -53.99 -39.51 84.83 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.73 1.62 . . . . 0.0 111.21 -176.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.1 m -110.1 19.85 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.25 162.24 30.72 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -124.29 156.59 36.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 111.184 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.42 -45.93 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.218 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.17 123.24 49.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -56.37 150.86 48.01 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.748 1.632 . . . . 0.0 111.147 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.8 t -70.97 143.29 50.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HG ' ' HA3' ' A' ' 123' ' ' GLY . 91.1 mt -78.18 135.98 37.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.222 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.3 p -84.62 173.59 10.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.242 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.15 -44.38 79.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -65.6 -40.71 92.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.83 -47.04 86.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.88 -42.44 81.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.98 66.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 mt -134.21 79.67 55.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -57.92 -36.73 97.99 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.723 1.615 . . . . 0.0 111.228 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -77.5 -8.14 57.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.9 mmm -105.06 16.37 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.211 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -123.11 92.72 48.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HA ' ' HB3' ' A' ' 60' ' ' LEU . 79.4 Cg_exo -53.86 -31.9 64.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.667 1.578 . . . . 0.0 111.254 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -54.43 -34.39 61.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.7 pt -109.68 -20.0 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 57' ' ' PRO . 61.1 tp -68.35 -38.56 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.9 p -94.94 17.04 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -129.87 101.84 18.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -55.48 -27.96 61.81 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.671 1.581 . . . . 0.0 111.205 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.4 m -55.69 -29.94 60.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.482 ' HB3' HG23 ' A' ' 121' ' ' ILE . 36.7 m-70 -80.15 -18.03 50.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 -176.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -91.49 140.38 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 -173.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -151.29 159.94 44.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -150.02 124.02 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.9 mt -82.29 125.91 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.275 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.4 p -95.24 -23.11 17.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.238 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -167.42 140.06 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.05 147.25 25.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -119.92 -48.13 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -141.41 104.2 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -172.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.95 120.65 53.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.221 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . 80.7 m -127.58 -170.09 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.44 89.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 -176.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 64.19 15.1 9.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 76' ' ' CYS . 99.7 mttt -125.58 100.09 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.9 t -115.58 127.28 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -167.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -107.24 120.76 43.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 174.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.57 -177.12 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -125.76 139.18 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.4 pt -125.75 170.86 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -156.69 164.62 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -117.98 -149.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 171.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.2 m -78.42 -1.5 33.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 -171.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t -147.41 -61.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -89.88 169.91 10.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.215 -170.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -145.84 150.24 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 tt -157.13 146.73 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 -170.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.58 151.82 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 p -135.28 140.03 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -120.4 119.51 33.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -96.74 117.07 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 80.1 p -71.33 164.51 25.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.227 -171.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -50.23 -47.14 55.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.21 -45.66 92.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.223 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 96' ' ' SER . 46.1 t -54.91 -59.57 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.7 -40.3 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -172.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.2 t -59.86 -50.64 73.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.222 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -66.66 -40.66 88.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -55.0 -44.6 74.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -67.73 -41.48 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.261 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -56.89 -43.75 81.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.1 m -72.97 -51.5 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -103.91 5.83 35.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 -168.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 58.89 29.88 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.4 p -168.57 147.89 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -80.75 171.1 15.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.97 -17.38 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.193 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.5 p -84.74 -15.67 44.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.7 t -107.02 136.07 47.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 59.98 41.45 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.461 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 76.3 p -131.48 -10.13 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.5 m -52.7 -48.7 66.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -172.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -120.97 37.04 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 60.7 m -125.83 170.36 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.261 -175.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.43 123.95 45.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.8 ptp -112.82 160.23 18.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 -173.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.482 HG23 ' HB3' ' A' ' 65' ' ' HIS . 67.3 mt -117.83 139.1 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 169.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 47.1 pt -120.63 165.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.42 ' HA3' ' HG ' ' A' ' 45' ' ' LEU . . . -161.17 172.26 37.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.0 t0 55.0 45.55 26.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 156' ' ' ASN . . . -115.66 138.93 50.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.183 -170.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -124.31 151.65 44.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.214 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 62.8 tp -89.1 127.0 35.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.4 p -139.74 139.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.242 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -102.51 134.0 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.17 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 32.8 m -124.85 164.91 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.291 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 82.5 p -96.86 164.38 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.281 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -50.0 -43.13 50.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.8 p -55.98 -37.62 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.47 -37.82 56.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.196 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.42 72.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.239 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 79.5 mtm -81.35 -41.17 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.6 p -83.08 -28.71 29.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -170.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -110.97 -48.84 3.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -90.23 -8.32 51.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.252 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 57.9 38.09 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 141' ' ' ILE . 16.6 tt -150.03 119.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 177.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.5 t -71.35 141.77 50.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 82.2 mt -81.34 -15.11 56.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 82.9 p -76.66 -10.07 59.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -98.63 13.18 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.1 tt -144.29 -29.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.4 p -150.08 -179.57 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 88.0 p -101.26 14.0 33.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 171.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -89.17 150.63 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.205 -174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -99.48 -7.72 25.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.24 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -130.06 167.26 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.7 p -153.54 133.61 7.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.218 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.28 140.21 40.19 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.716 1.61 . . . . 0.0 111.234 175.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.26 140.16 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 47.4 tp -95.17 116.11 28.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.273 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 125' ' ' ALA . 43.0 t30 -97.44 111.46 23.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 86.9 t -103.55 142.36 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -170.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.66 -23.88 4.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -122.22 142.93 49.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 172.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.14 153.07 30.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.189 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.8 t -160.03 161.06 33.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 98.7 mt -88.51 129.32 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -100.14 -49.94 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.239 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -162.49 179.39 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 43.3 pt -100.13 35.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.221 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -79.57 110.82 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -75.57 135.78 40.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.261 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 92.0 t -120.81 144.16 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -59.01 160.75 14.75 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 82.1 p -82.99 -172.17 3.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.808 0.337 . . . . 0.0 111.184 -176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.47 155.05 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 78.3 p -85.65 179.31 7.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 99.7 m -77.81 -40.97 38.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -107.72 152.19 41.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 -173.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.31 158.49 48.44 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.669 1.579 . . . . 0.0 111.213 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -125.38 -60.22 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.37 -20.05 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -70.0 -23.14 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.279 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -74.5 -7.21 52.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -99.35 0.13 42.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 -178.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.771 0.32 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -80.06 -13.01 59.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -57.62 -40.58 79.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.2 p -73.36 -16.38 61.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -82.53 -44.78 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -78.0 -40.71 38.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.0 139.99 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.222 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -110.81 150.0 41.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.93 138.96 83.77 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.787 1.658 . . . . 0.0 111.187 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -139.94 -24.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.8 mt -69.38 -46.78 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.181 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -55.32 -55.93 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.89 79.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.227 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HG ' HD22 ' A' ' 127' ' ' LEU . 55.2 tp -56.71 -56.95 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.9 pt -75.94 -18.5 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 -171.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -73.2 -42.47 62.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -67.42 -28.22 67.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -113.14 41.47 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.212 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.7 p -85.15 0.47 51.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.228 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -100.0 29.96 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -99.98 130.07 46.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.145 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -88.78 -168.62 2.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -68.24 122.99 19.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 69.12 25.15 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.01 135.01 90.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -49.44 140.47 27.44 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.722 1.615 . . . . 0.0 111.178 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.7 p -69.91 167.51 17.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.44 129.51 4.73 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -64.33 133.65 53.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.4 t -118.4 -57.58 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 mp -106.15 121.51 45.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.197 -174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -55.19 155.01 20.79 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.691 1.594 . . . . 0.0 111.229 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -70.32 148.39 48.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.2 mt -110.02 158.69 17.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.3 p -105.84 177.07 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.78 -42.33 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.67 -39.59 88.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -64.95 -42.73 94.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.63 -34.26 67.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.08 -43.28 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.234 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.2 mt -135.12 76.9 56.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -57.43 -38.28 94.79 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.676 1.584 . . . . 0.0 111.186 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -75.3 -10.06 59.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.4 mmm -99.86 2.41 43.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -113.36 108.6 52.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -53.56 -37.76 83.19 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.69 1.594 . . . . 0.0 111.284 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.7 m -52.49 -37.57 57.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.255 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.8 -48.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.62 -40.05 92.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -167.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.3 p -88.88 -5.03 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -169.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -120.09 117.37 32.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -68.64 -14.85 40.34 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.691 1.594 . . . . 0.0 111.19 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 95.6 m -63.57 -20.75 65.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -94.64 0.28 54.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.186 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -106.57 144.65 32.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.255 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.85 156.14 40.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -124.19 94.99 4.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 mm -65.67 130.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.184 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.0 p -100.54 -28.35 12.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -173.39 147.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -97.69 129.91 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 170.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -90.16 -56.29 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.168 -169.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -164.17 172.62 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.0 t -129.61 128.88 66.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.464 ' SG ' ' HE2' ' A' ' 140' ' ' LYS . 51.0 t -150.12 143.34 25.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -177.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 62.49 30.29 17.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 64.07 23.15 13.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.25 148.16 49.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.81 129.16 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -172.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 76' ' ' CYS . 82.3 m-85 -113.23 123.12 49.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 -173.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.59 -179.29 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 -173.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.0 m -122.43 138.96 54.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.243 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -113.98 134.53 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -105.43 134.56 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.251 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -116.79 -159.86 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p -61.18 -26.85 67.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.4 t -121.61 -67.22 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -123.73 -178.26 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -167.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -106.03 154.86 20.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 tt -139.85 140.1 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 175.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.7 144.46 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.1 p -135.02 140.09 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -119.85 117.57 28.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -94.17 123.44 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.559 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 72.6 p -69.46 165.81 20.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 -174.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -58.35 -41.85 85.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.218 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.13 -35.43 78.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.8 t -56.27 -52.63 63.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 174.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.12 -43.82 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.222 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -56.6 -50.05 73.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.39 -45.64 90.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.211 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -51.55 -46.69 63.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.46 -39.99 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.89 -36.32 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.1 m -76.94 -53.19 8.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.406 ' NE2' ' OG1' ' A' ' 161' ' ' THR . 92.8 m-70 -101.36 -3.26 29.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -167.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.23 41.56 31.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.6 p -160.74 170.97 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.43 155.26 38.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 13.8 tt -67.87 -13.98 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 66.6 p -92.45 -5.15 52.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.0 t -99.38 126.19 45.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 59.91 41.28 18.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.9 p -128.11 -9.77 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.8 p -98.64 -20.8 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 171.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -95.95 1.36 52.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 58.1 m -133.9 172.48 12.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' A' ' 166' ' ' ASP . 98.5 mt -87.4 140.32 29.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.2 tpp -96.29 131.24 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.252 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.6 mm -104.35 130.36 55.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 97.2 mt -101.47 137.27 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.276 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.2 149.71 20.62 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 173.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.4 t0 44.32 73.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.338 . . . . 0.0 111.224 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -131.33 136.68 48.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -115.61 146.74 41.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.425 HD22 ' HG ' ' A' ' 25' ' ' LEU . 53.9 tp -83.01 126.63 32.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 171.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.86 138.08 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -93.51 126.05 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.266 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.49 132.49 62.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 72.7 p -87.48 166.08 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -50.65 -45.28 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.6 t -57.07 -51.59 68.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.24 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -68.54 -29.93 68.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.25 77.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.21 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.9 mtm -78.63 -30.22 46.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.266 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 73.3 m -82.65 -37.13 25.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -110.32 -52.81 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -171.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.88 -19.05 60.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.464 ' HE2' ' SG ' ' A' ' 76' ' ' CYS . 74.1 mmtt 64.83 34.17 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.0 tt -159.58 127.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.9 t -63.76 144.96 56.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.32 -17.57 60.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 87.3 p -74.41 -8.9 57.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.08 -9.86 32.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.7 pt -126.42 -17.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.4 p -147.46 -179.99 7.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.225 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.8 p -100.57 9.56 42.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 172.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.52 154.51 25.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.174 -174.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -97.7 9.95 41.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.0 tt -156.51 129.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.18 153.63 78.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.76 140.0 37.96 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.703 1.602 . . . . 0.0 111.191 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 89.2 t -132.52 140.2 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 91.8 mt -89.64 112.13 23.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -93.39 100.61 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.9 t -101.76 124.02 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.211 -169.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -99.96 -20.01 16.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -136.31 142.3 43.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -148.68 151.42 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.257 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.406 ' OG1' ' NE2' ' A' ' 107' ' ' HIS . 13.4 t -159.33 -179.7 8.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.202 174.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 97.2 mt -103.68 136.66 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 119' ' ' LEU . 68.5 t80 -91.0 -67.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.204 176.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -158.46 160.38 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.6 mt -77.47 79.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -174.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.432 ' HB3' ' HG ' ' A' ' 119' ' ' LEU . 68.0 t0 -117.38 107.25 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.259 169.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -60.0 139.98 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -171.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 91.3 t -112.24 140.13 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -61.66 152.03 42.86 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 85.4 p -70.33 161.31 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 111.166 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.86 123.57 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 65.5 m -120.79 167.26 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 40.6 p -78.55 66.05 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.271 -177.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -109.48 149.97 40.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -58.11 147.3 84.04 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.723 1.616 . . . . 0.0 111.196 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -90.43 172.82 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 35.5 m -74.87 5.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.237 -172.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -56.37 -24.61 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -67.87 -16.8 64.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -109.99 11.67 23.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--O 1.201 -1.47 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -178.695 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.802 0.334 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.8 p -112.98 14.04 19.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -55.27 137.96 46.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.3 p -81.51 -7.89 59.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.37 -25.8 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -116.91 5.23 12.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -102.94 29.52 5.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.214 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -106.99 154.05 40.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.62 142.1 90.82 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.696 1.597 . . . . 0.0 111.246 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -141.04 -20.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 176.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.85 -40.67 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -53.65 -59.83 4.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.256 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.57 94.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.41 -51.21 63.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.278 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.5 mm -83.26 -35.45 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -174.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.38 -40.06 77.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.9 -11.2 59.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -125.65 39.61 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.0 p -77.51 -19.96 55.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -82.7 61.35 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -100.04 160.03 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 -176.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -103.39 176.04 5.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.257 172.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -65.99 112.45 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.9 t80 63.83 62.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -109.94 104.74 56.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -174.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -79.51 149.87 21.59 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.677 1.585 . . . . 0.0 111.172 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -129.89 -163.46 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.228 173.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.79 -161.46 35.44 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 96.9 m-70 -80.05 142.9 34.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.174 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.51 -15.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.203 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.9 mt -113.74 127.58 26.67 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -53.05 145.34 42.45 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.736 1.624 . . . . 0.0 111.237 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.4 p -76.45 159.93 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.9 mt -117.34 158.21 24.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 177.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.6 p -110.36 175.99 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 176.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.25 -40.83 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.41 -38.19 90.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -69.41 -38.0 77.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.2 -39.54 86.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.99 -43.33 71.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.65 70.47 79.27 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -175.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.33 -25.64 30.38 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.669 1.579 . . . . 0.0 111.204 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -80.06 -4.92 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.6 mmm -110.23 13.04 23.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -113.92 109.16 50.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -55.16 -32.39 79.91 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.664 1.576 . . . . 0.0 111.253 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.4 p -66.37 -20.05 65.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.266 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -97.6 -40.11 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.73 -39.71 94.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.252 -173.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.0 p -114.95 37.26 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -172.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -143.7 109.89 5.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.257 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -55.2 -30.2 70.28 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.738 1.625 . . . . 0.0 111.19 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.02 -15.71 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.189 -175.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -99.84 26.82 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.208 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -136.45 129.12 30.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.201 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.98 159.17 44.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.176 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -115.45 129.99 56.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.7 mt -79.74 134.06 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.4 p -107.74 -42.57 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.179 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -176.17 145.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 82' ' ' ALA . 88.1 m-85 -99.67 146.99 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.197 172.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -119.96 -47.23 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -132.3 100.56 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.251 -174.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.1 t -104.44 112.29 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -177.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 76.6 m -129.69 159.91 34.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.223 175.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -53.13 105.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 60.3 38.87 19.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 88.4 tttt -165.95 86.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.224 176.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.9 t -119.94 137.53 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -170.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.62 131.92 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 72' ' ' PHE . . . -145.46 -177.33 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.185 -174.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.2 t -121.85 142.16 50.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 175.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.4 pt -137.83 166.68 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -148.51 159.76 43.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.141 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -103.77 -141.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.2 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.7 m -91.81 9.62 31.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.6 t -143.45 -68.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -111.98 166.83 10.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 -166.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -124.2 138.87 54.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.6 pt -137.68 178.88 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.2 mt -106.06 157.08 17.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 172.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.53 139.86 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -106.36 135.83 47.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.147 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -103.25 111.14 23.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.3 p -72.28 165.98 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -55.92 -40.92 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.24 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.24 -43.14 98.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.276 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.5 t -58.08 -55.42 35.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.31 -41.19 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -62.4 -51.25 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.47 -44.86 93.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.02 -41.38 71.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 174.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.09 -41.1 86.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -177.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.82 -41.16 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.2 m -74.16 -47.96 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.272 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -104.01 -4.47 23.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -168.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.01 42.28 31.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.191 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.13 172.37 14.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -80.04 152.94 29.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.2 tp -60.5 -19.98 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.2 p -97.54 -16.35 20.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.6 t -57.79 97.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -168.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 53.56 42.39 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.422 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 81.4 p -109.6 -6.28 15.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.257 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.9 m -55.28 -36.1 65.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.247 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -112.08 28.09 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 70.8 m -116.48 170.7 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 166' ' ' ASP . 82.1 mt -99.78 153.67 18.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 58.9 ttp -131.47 139.99 49.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -170.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 95.5 mt -105.95 114.45 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 172.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 95.4 mt -93.08 134.79 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.19 148.55 19.97 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.0 t0 51.29 70.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.151 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.24 113.46 25.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.492 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 11.1 t0 -82.14 123.56 29.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 60.4 tp -88.37 121.73 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.6 m -139.65 143.4 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -91.53 131.57 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.222 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.86 159.99 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.4 p -90.09 164.64 14.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.17 -173.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -49.96 -41.7 47.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.4 t -55.78 -50.16 71.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.0 mmt180 -61.14 -38.08 85.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.29 79.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 99.0 mtp -82.31 -33.18 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.4 t -70.21 -48.97 54.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.231 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -108.86 -46.81 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -80.52 -19.46 45.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 64.12 39.92 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 141' ' ' ILE . 16.7 tt -148.65 120.06 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.5 t -66.53 134.67 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.44 -20.0 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 87.7 p -58.86 -24.17 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.188 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -110.04 20.73 17.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.577 ' O ' HG12 ' A' ' 146' ' ' ILE . 21.3 tt -169.35 30.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -177.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.7 p -160.94 169.58 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.262 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 88.1 p -110.22 -10.1 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 169.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -132.56 159.98 37.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -83.36 -2.4 55.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.3 -174.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.47 124.77 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -133.58 149.85 73.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 -171.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.47 141.73 16.0 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 121.729 1.619 . . . . 0.0 111.18 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.32 160.02 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.265 172.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.9 mt -109.8 122.6 47.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.261 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -91.88 103.62 16.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 171.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.4 t -94.75 131.8 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -169.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -105.39 -24.11 12.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -126.96 135.39 50.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -157.6 139.0 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 81.0 p -124.92 155.43 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 162.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 82.8 mt -135.06 130.01 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -134.71 152.59 51.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -96.66 40.14 1.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.204 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 98.0 mt -58.1 -42.21 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.425 ' HB3' HD11 ' A' ' 119' ' ' LEU . 67.3 t0 -134.91 117.11 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.19 129.92 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -176.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 85.7 t -91.33 139.88 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -82.77 -146.84 6.49 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 86.3 p -69.77 166.31 19.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.85 0.357 . . . . 0.0 111.18 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.84 110.03 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 93.3 p -78.16 160.41 28.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 73.9 p -125.85 55.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -75.98 153.54 84.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -53.46 109.94 0.43 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 121.625 1.55 . . . . 0.0 111.18 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -69.96 159.92 32.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.98 -13.28 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -72.28 -13.45 61.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -80.72 -27.29 36.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -117.68 43.46 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 -167.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -177.551 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.5 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.796 0.332 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -80.38 -11.49 59.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.6 -31.37 66.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.3 p -61.39 -20.0 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.231 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.53 -42.43 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -110.94 -1.61 16.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.253 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.5 mt -103.31 77.33 1.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -119.4 159.41 45.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.72 121.71 9.67 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.756 1.637 . . . . 0.0 111.125 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -140.24 -24.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.6 mt -65.52 -40.71 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -63.09 -54.44 37.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.34 79.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -53.75 -56.68 15.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -83.1 -27.52 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 -175.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.36 -39.99 77.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 174.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -88.16 -11.51 46.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -128.94 48.76 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.3 m -69.95 -20.24 63.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.255 -174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -79.47 73.66 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -70.16 -16.85 63.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.251 -173.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -91.07 -11.22 39.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -110.06 -29.96 7.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -61.59 144.32 54.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.201 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -52.29 128.89 41.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -53.65 -37.58 83.7 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.657 1.571 . . . . 0.0 111.234 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.9 m -113.3 26.56 10.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.79 146.06 42.79 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.48 145.17 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.327 . . . . 0.0 111.231 -172.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -94.98 -49.88 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.8 pt -127.79 156.1 76.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.49 155.04 22.27 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.753 1.635 . . . . 0.0 111.183 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.4 t -76.4 127.88 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.6 mt -87.77 156.6 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.6 p -108.07 177.61 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.23 -35.31 73.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.176 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -67.22 -37.88 84.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -69.12 -39.35 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.05 -32.73 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.37 -41.12 66.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 175.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.9 mt -133.94 70.64 74.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 -175.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.7 -25.08 34.3 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.69 1.593 . . . . 0.0 111.242 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -80.03 -4.23 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.238 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.5 mmm -110.07 14.92 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.6 t -122.74 102.65 38.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -55.33 -32.27 80.54 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.709 1.606 . . . . 0.0 111.189 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.8 p -63.41 -23.7 67.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.226 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 121' ' ' ILE . 89.2 mt -91.03 -46.21 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.191 172.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.06 -38.12 81.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.291 -171.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.6 p -101.84 25.52 8.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.25 -170.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 58.0 t-20 -146.35 106.5 4.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -56.26 -24.8 52.82 Favored 'Trans proline' 0 C--N 1.327 -0.553 0 C-N-CA 121.769 1.646 . . . . 0.0 111.174 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.417 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 71.9 m -71.9 -8.53 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -172.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -96.7 2.95 52.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.78 139.91 45.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.58 137.18 31.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -118.74 107.8 14.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 69' ' ' ILE . 1.3 mp -78.25 122.33 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -174.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -92.83 -22.44 19.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -171.43 139.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -93.02 134.61 34.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 164.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -111.76 -41.83 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -173.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' HB3' ' HB2' ' A' ' 81' ' ' TYR . 43.6 t30 -140.68 100.52 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.19 -177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.2 t -108.56 115.69 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . 86.7 m -130.04 -175.61 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -57.76 95.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' A' ' 97' ' ' GLN . 18.1 m-30 60.25 30.13 19.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 76' ' ' CYS . 93.6 mttt -140.04 90.08 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -108.41 129.03 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.415 ' HB2' ' HB3' ' A' ' 74' ' ' ASN . 81.8 m-85 -119.77 121.32 38.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 175.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.48 -171.67 3.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -174.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.2 p -134.64 147.13 50.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 171.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.4 pt -127.25 146.46 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.237 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 -133.59 120.05 20.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -83.24 -149.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.211 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.5 m -88.11 9.99 20.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -137.1 -70.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -120.88 153.85 36.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 -165.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -103.7 145.02 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.5 tt -141.23 145.48 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.421 ' HB2' HG22 ' A' ' 154' ' ' VAL . 95.5 mt -70.36 146.42 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.57 138.42 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -177.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -120.05 130.52 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -104.57 125.44 50.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 64.7 p -72.24 168.37 18.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -171.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.444 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 66.9 tt0 -56.99 -46.41 82.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 174.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.06 -40.03 95.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.8 t -55.35 -58.28 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.18 -36.6 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 t -58.86 -50.05 75.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.12 -46.72 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -51.76 -45.5 63.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.81 -47.03 82.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.26 -37.06 85.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.5 m -70.09 -50.03 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 96.8 m-70 -102.17 -8.69 21.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.222 -168.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 49.89 47.0 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 24.9 p -159.72 176.88 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.01 162.69 16.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.5 tp -64.04 -19.96 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 63.3 p -97.62 -16.75 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.4 m -56.1 95.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -169.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' A' ' 118' ' ' CYS . 96.7 mt-10 51.76 40.72 28.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 80.7 p -102.0 -5.98 23.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 91.5 m -56.1 -39.78 72.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -109.03 26.32 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.183 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 114' ' ' GLU . 72.3 m -116.43 169.93 8.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.22 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.412 ' HB3' ' HB ' ' A' ' 165' ' ' ILE . 55.1 tp -113.94 124.92 53.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.182 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.46 ' SD ' HD11 ' A' ' 69' ' ' ILE . 55.5 ttm -85.57 141.39 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 59' ' ' ILE . 43.8 mm -109.78 124.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.221 166.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.4 pt -113.4 152.8 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -172.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.61 162.49 30.76 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 45.1 t0 48.85 71.14 0.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 111.252 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.32 134.59 52.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -105.67 135.17 47.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.8 120.83 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.425 HG23 ' HB ' ' A' ' 154' ' ' VAL . 27.9 m -138.32 -162.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.242 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -154.01 164.97 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.4 p -136.63 140.06 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.7 p -85.33 170.02 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.289 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -52.48 -59.65 4.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 m -63.73 -42.67 97.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.201 -174.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 61.8 ttt85 -62.87 -43.27 99.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.52 69.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 97.3 mtp -72.28 -26.34 61.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.8 p -96.67 -20.04 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -109.53 -53.76 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.22 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 73.8 m-85 -89.21 -18.73 26.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 86.8 mttt 69.39 31.35 3.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 -172.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 89.2 mt -131.06 121.41 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 44.2 t -75.66 133.22 40.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 166.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 85.6 mt -101.83 -37.89 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -169.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 90.4 p -74.13 -10.41 59.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -109.56 5.05 22.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.3 pt -127.49 -20.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.218 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.4 p -134.54 179.99 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 67.0 m -85.84 -4.56 59.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -118.49 134.16 55.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -75.4 -11.81 60.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 174.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 97.4 mt -124.02 137.4 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.1 t -128.51 133.27 24.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -65.27 145.52 83.99 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.583 1.522 . . . . 0.0 111.268 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.425 ' HB ' HG23 ' A' ' 128' ' ' VAL . 79.1 t -130.39 143.35 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 -176.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 87.4 mt -96.71 117.5 31.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -92.11 98.47 11.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 88.0 t -94.69 123.76 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.24 -170.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -99.95 -20.04 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -130.02 136.11 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 174.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -152.51 145.87 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 161' ' ' THR . 15.2 t -156.7 128.67 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.233 176.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 91.4 mt -109.75 129.57 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -169.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.33 149.96 52.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -75.13 74.98 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.197 -178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 87.8 mt -102.92 -50.37 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 -178.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -138.87 119.01 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -173.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -59.69 140.91 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 67.3 t -92.18 140.89 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.04 -160.17 9.39 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.0 p -76.23 168.16 20.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.235 -174.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 47.5 tp -84.91 124.58 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 59.5 p -71.51 161.26 31.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 89.8 m -75.17 -31.01 60.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.214 -174.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -162.36 153.25 14.69 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -55.28 156.58 16.48 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 C-N-CA 121.711 1.607 . . . . 0.0 111.154 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -122.98 -17.02 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 -174.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.85 -23.19 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -59.04 -23.32 61.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.29 -19.4 54.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.125 -172.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -127.09 65.08 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -174.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.797 0.332 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.4 p -94.24 -4.03 49.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.191 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -53.09 133.1 38.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.6 m -58.96 166.28 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -54.39 -46.67 70.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -76.85 -7.69 55.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.219 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -98.31 0.12 44.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -67.81 157.18 87.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -63.94 143.18 84.65 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.727 1.618 . . . . 0.0 111.233 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -141.04 -23.93 0.75 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.223 -176.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.12 -55.87 18.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.98 -39.93 72.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.13 75.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.63 -30.34 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.46 -49.93 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -61.21 -40.21 93.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.225 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.26 -25.7 67.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.225 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -119.46 33.26 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.219 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -88.6 8.63 27.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.178 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -99.96 30.64 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -110.44 -179.1 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.215 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -91.67 171.29 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -68.78 127.8 34.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 60.03 57.69 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 -171.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -137.42 89.92 15.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -174.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -55.92 145.98 70.62 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.654 1.569 . . . . 0.0 111.258 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -107.82 -169.98 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.05 -166.62 34.0 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 84.2 m-70 -69.66 138.7 53.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 111.194 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.44 -19.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 -177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.417 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 83.8 mt -120.03 115.23 33.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 171.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -55.51 155.41 21.17 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.698 1.599 . . . . 0.0 111.165 -176.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.8 p -76.33 159.14 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt -109.87 149.46 29.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 p -80.81 173.99 12.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -55.73 -44.7 77.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.81 -41.9 86.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.72 -40.88 98.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.35 -33.18 71.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.52 -45.83 91.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.217 176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.7 mt -139.38 75.69 32.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.232 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -59.14 -35.53 97.62 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.716 1.611 . . . . 0.0 111.219 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -81.66 -0.17 41.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 96.4 mmm -114.77 8.54 16.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -106.74 112.55 63.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -55.12 -36.19 92.43 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.714 1.61 . . . . 0.0 111.265 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.5 p -65.21 -22.84 66.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.3 mt -90.47 -43.88 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.238 173.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.51 -30.29 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.21 -172.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 73.5 p -98.28 15.69 23.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -140.16 111.21 7.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.18 -15.4 31.87 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.693 1.595 . . . . 0.0 111.222 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.2 m -65.3 -23.13 66.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -88.04 -1.85 58.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -109.58 156.01 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.32 156.81 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -127.81 103.51 7.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.8 mt -71.83 128.66 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.21 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.1 p -106.01 -27.24 11.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -175.27 140.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.241 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -102.76 159.97 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -106.82 -55.59 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.23 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -179.61 -171.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -171.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.96 156.88 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . 41.9 t -162.71 137.49 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.237 176.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 55.33 37.31 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 65.51 22.89 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -117.04 155.0 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.6 t -108.91 133.99 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 76' ' ' CYS . 92.5 m-85 -120.97 120.43 35.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.14 -175.86 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.239 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 m -122.29 140.19 52.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.202 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.6 pt -125.0 170.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 176.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.443 ' HB3' ' HG3' ' A' ' 90' ' ' GLN . 37.9 ptt180 -153.14 170.63 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 172.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -132.79 -149.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.8 m -57.84 -28.75 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -98.91 -109.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -110.88 -174.44 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 -167.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.443 ' HG3' ' HB3' ' A' ' 85' ' ' ARG . 26.4 mp0 -94.9 165.75 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -173.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.1 tt -160.0 144.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.49 ' HB2' HG22 ' A' ' 154' ' ' VAL . 90.0 mt -66.8 145.58 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.3 p -135.96 148.45 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.19 139.84 39.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.232 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -111.08 126.35 54.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.493 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 59.5 p -63.89 161.91 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -173.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -56.26 -41.07 75.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.09 -39.9 90.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 96' ' ' SER . 39.5 t -58.19 -46.82 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.52 -49.67 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.4 m -56.39 -50.28 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.177 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.62 -49.23 71.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.243 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -52.44 -45.71 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.95 -40.36 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.71 -39.04 92.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.5 m -73.34 -50.05 24.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -104.62 -4.49 22.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -168.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.83 41.09 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.0 p -159.32 166.88 30.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -88.66 159.51 17.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 111' ' ' ILE . 97.4 mt -78.48 -5.77 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 81.3 p -100.93 -6.28 24.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 174.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.4 t -101.27 108.35 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -174.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 59.74 43.66 15.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 173.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.5 p -113.34 -12.31 13.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.0 p -81.54 -10.91 59.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -170.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -124.21 20.02 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 77.4 m -126.81 165.11 19.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 60.3 tp -95.26 120.86 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 92.1 mmm -90.86 149.1 22.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.199 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 77.1 mt -126.63 111.44 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.242 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.0 pt -114.04 160.02 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 -170.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -155.37 165.06 32.26 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.1 t0 53.18 54.78 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.163 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.417 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . . . -115.83 138.05 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 11.0 t0 -114.49 134.39 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -176.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.6 tp -86.15 122.5 30.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 32.9 m -130.19 173.01 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -120.81 132.79 55.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 93.1 t -118.53 136.04 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.0 p -81.95 168.55 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.27 -40.41 86.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 99.8 p -70.08 -39.65 75.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.268 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.59 -29.85 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.222 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.83 -16.85 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 99.2 mtp -88.91 -25.64 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 176.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 92.8 p -92.02 -19.91 21.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.2 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -102.56 -65.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -89.57 -18.27 26.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 87.5 mttt 64.98 36.91 7.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.6 tt -151.46 128.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.4 t -59.96 143.24 52.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.247 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.57 -3.69 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.8 p -66.34 -19.78 65.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 170.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -103.69 9.74 37.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.277 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.4 mm -119.62 -40.65 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.8 p -143.98 -177.66 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.223 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.2 p -88.3 -0.35 57.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.72 -179.97 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -98.12 32.25 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.159 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 151' ' ' ILE . 16.2 tt -145.8 121.38 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.96 130.2 18.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -71.65 144.39 44.27 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.748 1.632 . . . . 0.0 111.21 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' A' ' 92' ' ' LEU . 62.7 t -133.47 141.01 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 155' ' ' LEU . 4.2 mm? -89.95 112.52 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -92.43 99.55 12.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 99.4 t -92.19 140.19 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -171.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -114.71 -31.34 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -120.68 136.93 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 172.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -150.39 135.25 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 64.7 p -131.22 169.11 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 166.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.16 134.52 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -139.35 145.27 38.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 172.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -82.01 67.77 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 94.8 mt -100.25 -48.3 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.272 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -134.4 111.36 10.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.44 130.28 46.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.64 139.16 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.206 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.0 166.6 54.49 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 88.2 p -76.78 162.2 27.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.271 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.52 138.44 56.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 60.1 p -68.72 -178.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 81.9 p -77.14 -13.6 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.227 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -160.04 112.98 1.43 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -55.1 144.24 70.38 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.677 1.585 . . . . 0.0 111.196 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -103.91 27.14 7.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.77 -21.69 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -65.0 -17.09 64.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.51 -16.7 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -96.63 -2.94 43.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.203 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.214 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.3 p -103.75 16.92 25.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.34 147.77 39.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.5 p -68.1 -16.76 64.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 -173.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 m -69.68 -14.94 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -98.83 4.3 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.8 mt -95.91 73.18 3.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.84 156.81 72.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.61 130.17 32.5 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.698 1.599 . . . . 0.0 111.213 178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 64' ' ' CYS . 8.8 t90 -142.58 -35.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 -176.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.03 -42.49 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.92 -43.68 94.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.72 95.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.15 -37.02 85.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.234 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.77 -48.14 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.241 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.25 -39.47 79.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.51 -22.63 67.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.243 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -109.99 11.68 23.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.5 t -103.73 146.45 28.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -154.92 167.49 30.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.252 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -73.84 -19.95 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -85.02 171.75 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 176.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -55.05 127.63 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.226 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -61.0 155.18 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -73.33 133.35 80.88 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -48.09 -39.17 33.35 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.654 1.569 . . . . 0.0 111.272 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.8 p -130.1 40.03 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.85 102.0 0.04 OUTLIER Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -64.09 125.67 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 0.0 111.187 -175.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -110.13 -58.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 87.6 mt -107.54 129.4 24.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.229 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -53.51 149.24 31.5 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.7 1.6 . . . . 0.0 111.165 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -76.57 139.58 40.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.5 mt -102.28 148.74 25.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.268 173.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.8 p -88.73 173.97 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.26 -42.15 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.235 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.87 -41.01 88.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -68.36 -42.93 78.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.6 -39.92 73.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.06 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.9 mt -130.91 71.44 82.4 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.34 -28.36 33.22 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -76.47 -7.72 55.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.242 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 94.4 mmm -104.79 16.21 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -133.78 82.58 49.75 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.206 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 88.7 Cg_exo -53.86 -31.22 61.5 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.776 1.651 . . . . 0.0 111.184 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.3 m -51.27 -40.46 58.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 pt -101.48 -18.45 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.257 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 86.2 mt -66.13 -23.71 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 173.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.5 p -96.82 6.35 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.614 ' HB3' ' SG ' ' A' ' 64' ' ' CYS . 96.8 m-20 -115.09 105.56 52.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 41.6 Cg_endo -69.2 -14.14 37.34 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.753 1.636 . . . . 0.0 111.152 -175.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.614 ' SG ' ' HB3' ' A' ' 62' ' ' ASN . 32.0 p -66.4 -16.87 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -102.65 5.21 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -109.96 132.39 54.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.68 142.65 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -110.29 120.14 41.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.1 mt -83.94 129.97 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -109.71 -34.31 6.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.215 -171.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -169.96 143.2 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 96.7 m-85 -100.11 147.34 25.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 168.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -105.44 -57.63 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -170.99 164.82 7.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -174.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.5 t -122.86 92.85 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.4 m -103.66 145.09 30.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 56.75 35.42 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 61.66 23.63 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.95 141.43 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 92.5 t -92.88 133.27 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.244 -175.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -119.85 121.54 39.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.232 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . . . -144.97 -174.57 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 -172.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.4 t -128.4 138.68 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.236 173.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.9 pt -129.53 168.73 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -145.19 160.01 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -110.16 -142.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.212 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.3 m -87.71 5.59 39.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -174.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t -146.67 -63.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.204 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -108.91 167.24 10.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -165.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -125.64 144.66 50.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.268 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.1 tt -149.69 150.14 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -175.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.6 152.49 42.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 p -138.3 141.22 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -111.28 153.35 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 171.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.436 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 88.8 m-85 -123.15 118.18 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.226 171.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 72.5 p -66.07 164.05 16.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.284 -176.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -58.61 -37.51 76.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.249 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.16 -42.0 94.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.8 t -59.67 -45.43 92.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.33 -52.75 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.232 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.5 m -57.64 -49.93 74.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.214 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.77 -46.18 90.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -56.71 -42.83 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.85 -40.7 91.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.232 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.31 -39.68 95.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.3 m -73.03 -49.33 29.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -104.05 -4.72 22.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -167.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.24 37.12 28.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 30.9 p -163.09 168.26 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.93 157.16 26.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.55 -27.66 43.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.4 p -85.16 -14.0 48.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 t -86.41 113.32 22.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -170.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.05 46.22 11.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 173.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.533 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 42.1 p -137.8 0.21 2.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.255 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.8 m -57.94 -29.87 65.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -125.69 22.07 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 90.3 m -102.43 173.61 6.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -175.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.1 tp -102.41 121.6 42.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 48.4 ttp -89.95 129.98 36.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.4 mm -101.33 107.74 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 168.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.62 139.96 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -164.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -115.9 -124.45 3.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -49.99 117.04 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 111.203 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.46 144.49 27.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.21 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -118.12 164.36 15.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 53.0 tp -93.89 126.73 39.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.13 124.95 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -84.34 137.47 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.262 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 20.9 m -123.98 151.2 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 50.2 p -86.86 167.52 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -51.13 -43.5 61.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.3 t -59.16 -49.61 77.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.89 -34.46 77.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.91 -39.34 79.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 79.0 mtm -74.12 -28.29 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.0 t -75.23 -59.88 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -89.9 -43.4 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -91.99 -20.26 21.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.224 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 65.63 31.78 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 31.7 mm -129.97 118.9 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 t -67.48 134.36 51.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.233 174.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 78.1 mt -79.89 -23.64 41.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.275 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.6 p -63.81 -19.81 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.264 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -97.36 -9.58 27.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.255 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.4 pt -129.97 -5.39 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 33.4 t -152.95 154.66 35.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 96.6 p -86.42 -4.05 59.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.92 157.11 27.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.249 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -96.1 16.24 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.85 127.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.5 m -134.21 152.88 79.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 -171.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.86 139.9 22.61 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.697 1.598 . . . . 0.0 111.201 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 96.0 t -132.44 139.85 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.187 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 49.7 tp -87.27 111.64 21.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -96.19 116.11 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.5 t -91.03 130.0 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.251 -172.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -101.45 -42.37 6.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -132.09 131.87 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -170.53 150.23 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 46.7 p -128.72 159.91 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.204 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 74.5 mt -127.47 130.99 70.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -174.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -130.13 150.45 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -80.85 68.02 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 95.6 mt -101.8 -51.97 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.294 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -123.73 117.94 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -64.52 129.83 41.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 55.6 t -109.3 143.68 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.254 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.96 -164.8 27.94 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 86.6 p -85.03 175.5 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -174.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.13 130.45 44.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 65.0 m -72.48 155.4 40.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 175.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 93.7 m -49.4 -42.36 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 -173.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -152.93 143.99 16.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.37 117.93 4.48 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.732 1.622 . . . . 0.0 111.203 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -77.83 -18.08 56.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 -170.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.46 -31.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.231 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 178' ' ' TYR . 4.5 m-30 -80.74 -16.96 52.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.226 -178.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.33 -36.82 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -176.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -110.44 23.18 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 -179.437 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.833 0.349 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.9 m -67.37 123.89 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.03 150.11 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.4 p -60.12 -20.54 58.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.68 -40.5 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -105.6 -16.09 14.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.8 tp -86.87 118.8 26.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -99.09 159.22 30.73 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -55.48 149.32 48.16 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.738 1.625 . . . . 0.0 111.148 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -129.26 -40.37 1.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.22 -43.41 88.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.55 -35.7 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.35 -17.92 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.58 -18.44 62.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -51.01 -39.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.97 -33.9 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -97.01 -21.25 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -77.18 -29.91 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.8 p -58.02 -25.23 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.2 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.08 59.98 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -53.92 -41.3 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -170.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -106.65 -0.92 23.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -172.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -118.82 -10.83 9.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -173.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -76.04 140.46 41.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -55.93 130.09 72.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.236 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -54.09 -33.64 74.68 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.65 1.567 . . . . 0.0 111.199 -176.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.4 m -123.15 32.62 5.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.213 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.72 115.98 7.98 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -72.7 139.42 47.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 111.157 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.0 m -127.75 -15.92 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.251 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 86.4 mt -123.97 119.04 26.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.278 172.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.94 157.1 13.78 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.797 1.665 . . . . 0.0 111.225 -177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -74.06 133.99 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.215 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -108.18 162.56 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.214 172.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.8 p -118.7 170.79 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -50.26 -39.9 46.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.33 -27.14 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.219 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -82.95 -41.71 18.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 159' ' ' GLN . 94.8 mt -68.98 -33.15 73.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.91 98.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 mt -136.82 75.94 48.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -58.45 -35.27 98.88 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.625 1.55 . . . . 0.0 111.234 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -75.92 -9.51 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.4 mmm -99.87 2.6 43.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.433 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 26.6 t -113.06 107.61 54.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.248 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 56' ' ' SER . 60.1 Cg_endo -65.83 -26.83 51.98 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.65 1.567 . . . . 0.0 111.242 175.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 m -59.38 -42.02 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.9 mt -74.65 -47.75 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.6 -38.95 93.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -169.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 p -92.12 3.97 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -171.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -126.38 109.02 23.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.82 -23.0 31.89 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.801 1.667 . . . . 0.0 111.134 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.5 m -48.31 -36.29 13.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.193 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -99.48 15.54 26.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -114.23 132.87 55.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.245 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.8 139.9 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -112.11 113.74 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.286 174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.13 134.48 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.6 p -113.32 -36.91 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -169.93 149.61 3.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 96.3 m-85 -108.86 150.06 28.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 169.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -104.41 -59.09 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -169.97 178.84 3.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.95 112.14 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.206 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.77 144.17 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 55.9 34.95 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.176 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 63.7 24.35 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -125.16 140.37 52.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.5 t -95.66 130.81 43.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.241 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -114.64 117.01 29.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB2' ' CD1' ' A' ' 72' ' ' PHE . . . -144.78 179.55 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.212 -170.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.8 m -128.43 146.88 50.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 172.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.5 pt -131.27 169.67 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.504 ' HD2' ' O ' ' A' ' 88' ' ' SER . 61.7 ttp85 -139.97 164.86 28.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 173.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -119.09 -138.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.225 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -63.98 -26.95 68.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.504 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 49.9 p -137.03 -89.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 -173.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -81.5 162.05 23.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -162.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -101.13 163.5 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.8 tt -153.78 148.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.8 mt -83.2 146.31 28.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -130.07 136.62 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -121.31 124.55 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.225 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -93.88 124.37 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.207 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.6 p -66.7 160.01 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -174.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -56.16 -39.93 73.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.47 -44.61 93.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 96' ' ' SER . 49.0 t -55.11 -50.98 67.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.51 -50.38 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -56.32 -49.88 73.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.2 -47.09 78.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -52.69 -44.11 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.276 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.74 -24.95 66.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.79 -38.8 22.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.23 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 79.0 p -85.09 -24.41 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -174.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.492 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 54.8 m80 -109.96 -10.78 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.215 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 56.88 32.19 21.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 29.9 p -163.44 166.15 23.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.27 156.15 28.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.39 -25.57 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.4 p -83.31 -16.43 46.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.5 t -92.69 114.17 26.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -170.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 61.38 50.19 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.233 171.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 68.9 p -130.5 -9.81 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.9 m -57.69 -41.85 82.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.278 -171.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -106.81 24.71 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.6 m -115.26 165.01 13.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.22 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.9 tp -91.93 133.59 35.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 52.3 ttp -110.68 132.47 54.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -176.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.7 119.96 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 91.0 mt -103.14 142.96 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.252 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.11 156.76 26.2 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 46.4 t0 44.79 73.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 111.235 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 42' ' ' ILE . . . -134.8 139.22 44.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -131.25 153.57 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.8 mt -88.57 135.32 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.12 139.44 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.247 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -82.22 121.54 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -169.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.1 139.88 40.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.2 p -83.97 162.96 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -174.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -51.89 -47.06 64.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.1 t -57.61 -48.76 78.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.87 -30.11 70.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.41 -37.13 77.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.6 mtp -69.85 -39.28 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.3 t -72.59 -51.32 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -98.98 -49.57 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -167.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -77.73 -16.73 58.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 65.41 33.16 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.223 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 141' ' ' ILE . 19.5 tt -159.25 125.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.0 t -64.55 145.97 55.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.8 mt -75.71 -6.14 49.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.234 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 95.0 p -66.68 -19.28 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 171.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.45 10.73 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 176.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.9 mm -119.86 -49.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 77.1 p -152.33 -169.87 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.0 p -91.35 -0.85 57.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -100.36 160.03 14.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -109.99 -2.06 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.9 mt -138.5 121.27 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.218 171.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.1 m -135.84 143.38 44.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 -171.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.06 121.39 5.34 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.759 1.639 . . . . 0.0 111.218 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.3 157.58 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 42.1 tp -89.43 111.52 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -91.58 109.98 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 94.0 t -104.24 131.13 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -169.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -99.94 -40.11 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 173.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . 0.465 ' HB3' HD11 ' A' ' 50' ' ' LEU . 13.1 mm100 -114.25 137.12 52.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -159.49 148.8 18.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.0 t -147.44 157.31 43.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.9 mm -125.91 130.14 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -131.04 139.85 50.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -94.68 15.62 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.23 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.43 -45.3 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -114.54 111.59 21.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.18 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -71.29 150.05 45.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -121.72 163.03 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -75.02 157.75 50.48 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 84.3 p -84.88 179.92 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.181 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 44.9 tp -52.39 122.01 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 62.4 m -131.64 158.87 39.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 34.2 p -87.78 63.58 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 -171.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 175' ' ' PRO . 71.6 m-85 -96.69 144.75 28.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.25 173.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 174' ' ' PHE . 75.5 Cg_exo -58.09 145.09 93.64 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.744 1.63 . . . . 0.0 111.188 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -81.93 146.86 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.5 p -62.15 -15.96 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -65.14 -22.1 66.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.16 -5.14 29.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -110.02 11.08 24.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.142 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--O 1.201 -1.479 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 177.512 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.792 0.33 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.7 p -120.34 24.77 10.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.273 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -56.91 142.52 41.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.6 p -79.48 -4.02 49.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.7 t -57.05 -41.03 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -102.5 -0.2 32.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.72 19.96 13.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 175.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -64.72 155.02 83.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 173.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.44 152.42 82.0 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.694 1.596 . . . . 0.0 111.23 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -142.4 -17.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.2 -39.83 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.92 -39.89 82.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.98 93.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.79 -43.54 97.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.27 -46.82 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.227 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -46.36 89.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.16 -39.22 89.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -105.0 31.97 4.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -76.06 -18.02 59.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.14 29.23 7.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -80.43 160.06 25.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 36' ' ' HIS . 10.9 t0 -73.68 -179.91 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 177.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -50.51 94.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 57.46 38.36 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 33' ' ' ASP . 79.9 t60 -77.72 120.81 82.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.232 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.58 158.04 47.98 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.666 1.577 . . . . 0.0 111.206 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -123.67 170.29 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 -175.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.9 -157.01 6.62 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -63.02 134.25 55.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -120.9 -13.2 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.26 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.6 mt -117.37 130.27 24.77 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 173.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -53.18 147.08 36.49 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.697 1.598 . . . . 0.0 111.197 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.0 t -65.36 130.51 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 -176.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' HA3' ' A' ' 123' ' ' GLY . 10.4 tp -73.32 136.73 44.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 175.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.4 p -93.97 170.71 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.33 -37.9 88.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.46 -38.07 88.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -65.02 -44.42 89.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.6 tp -55.11 -49.87 70.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.94 -49.34 68.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.7 mt -136.9 79.46 38.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.24 -173.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.44 -28.91 31.94 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.663 1.575 . . . . 0.0 111.282 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -82.01 -3.6 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.267 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.4 mmm -110.5 16.88 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.222 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -133.4 124.51 18.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.22 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -53.07 -30.11 48.13 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.247 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.4 m -52.32 -33.99 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.221 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.7 mp -95.24 -46.7 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.81 -36.2 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.214 -167.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.0 p -105.67 12.41 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -126.81 106.48 22.77 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.35 -28.16 61.56 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.763 1.642 . . . . 0.0 111.154 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.61 -15.23 60.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -176.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -99.99 17.46 20.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -127.44 108.43 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.198 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.34 147.97 49.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.55 118.38 33.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.19 126.18 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.7 p -96.13 -29.14 14.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 -174.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -170.33 140.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.172 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -95.74 145.39 25.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -102.67 -55.02 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -174.9 164.02 3.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.22 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.26 117.22 50.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.245 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.92 138.61 50.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.176 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 55.04 35.87 25.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.206 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 63.09 28.07 15.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -122.53 122.88 39.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.0 t -83.34 134.09 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -120.71 121.74 38.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.72 -174.71 4.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.258 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.1 t -128.31 141.0 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 174.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.5 pt -131.88 156.3 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -139.65 160.21 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -112.23 -140.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.2 m -101.19 16.58 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.1 t -138.67 -65.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -128.07 174.44 9.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -172.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -130.3 139.51 50.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.224 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.1 pt -134.05 174.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.174 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' HB2' HG22 ' A' ' 154' ' ' VAL . 97.8 mt -90.08 156.54 18.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.203 169.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.5 p -139.85 145.39 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -135.35 143.67 46.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.418 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 88.8 m-85 -115.94 132.63 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -174.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 60.2 p -71.05 164.89 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.237 -176.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.89 -40.07 87.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.233 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.28 -42.96 99.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 96' ' ' SER . 48.9 t -56.24 -53.99 50.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.04 -42.48 95.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.255 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -50.48 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.213 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -63.39 -45.71 89.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.189 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.38 -52.16 64.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.173 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.62 -40.03 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.263 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -57.3 -46.72 82.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 83.4 m -75.26 -47.66 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.232 -175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -92.99 -10.03 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 -169.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 52.98 43.55 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.5 p -157.1 169.82 23.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -86.73 167.51 14.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.8 tp -66.01 -19.94 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 57.9 p -97.62 -9.62 26.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.7 t -96.29 123.21 39.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.236 -173.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 59.92 37.76 21.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.7 p -123.1 -18.21 6.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.192 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -61.46 -41.09 96.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.6 p-10 -98.33 20.87 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.94 169.83 14.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.26 140.91 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 172.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 56.8 tpp -89.14 130.17 35.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.83 113.19 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.2 mt -101.75 134.1 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.43 ' HA3' ' HB2' ' A' ' 45' ' ' LEU . . . -145.49 164.49 28.06 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.2 t0 49.69 62.46 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 111.097 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.92 145.09 45.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 -169.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.3 150.08 48.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 59.9 tp -104.29 120.61 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.1 m -132.69 -174.85 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -127.28 143.17 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.05 156.74 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -95.11 176.26 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -51.49 -52.37 47.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.216 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.6 p -66.71 -35.97 81.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -176.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -65.67 -34.24 77.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.3 -35.95 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.3 mtp -64.91 -32.0 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 41.6 t -77.55 -58.05 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -84.89 -53.4 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -171.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -81.71 -15.24 55.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 65.41 32.8 9.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.4 tt -156.24 129.04 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.1 p -69.79 159.63 33.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 82.5 mt -103.69 -38.0 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 70.4 p -65.51 -19.32 65.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -101.98 -8.23 21.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.3 mm -120.01 -59.69 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -175.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 148' ' ' SER . 89.9 p -84.45 -19.94 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 147' ' ' SER . 19.6 m 67.78 17.23 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -174.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -123.27 152.96 40.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -79.23 -44.43 21.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 42.4 mm -109.75 128.44 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.22 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 76.3 t -132.48 133.62 23.83 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -61.85 140.19 84.06 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.734 1.623 . . . . 0.0 111.203 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 92' ' ' LEU . 78.7 t -133.29 131.45 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.202 175.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 53.5 tp -93.32 114.42 26.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -91.53 120.01 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.198 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 80.6 t -115.86 118.84 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 -168.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -94.92 -23.17 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -135.27 139.95 44.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.203 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.09 152.76 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.0 t -148.78 -178.16 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.262 172.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 6.3 tp -143.11 140.7 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -169.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -153.58 140.15 18.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.257 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -72.51 110.45 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.206 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 91.3 mt -130.16 -49.52 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -151.15 121.68 7.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.26 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 65.8 tt0 -57.65 133.14 55.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 99.5 t -102.53 130.14 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -77.95 176.45 53.91 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 85.0 p -79.61 179.61 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 111.199 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 50.7 tp -57.55 128.12 35.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 97.2 p -149.56 170.03 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.207 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 88.3 m -56.77 121.92 10.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.279 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -160.01 136.59 6.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -51.28 140.99 41.12 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.709 1.606 . . . . 0.0 111.205 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -112.56 166.14 11.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.187 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 88.0 t -80.01 -44.83 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 172.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -65.88 -19.92 66.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.76 -32.92 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -119.4 26.77 9.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 52.3 tp . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -176.437 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.9 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.2 m -63.72 -29.21 70.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 175.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -90.07 -0.95 57.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -176.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.8 p -57.16 -32.06 66.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -177.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.3 t -57.57 -39.07 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -106.27 17.02 24.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.2 tp -94.46 108.63 20.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -127.71 157.07 74.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -51.06 116.64 2.78 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.701 1.601 . . . . 0.0 111.207 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -133.75 -22.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.64 -38.24 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -55.08 -52.14 64.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 172.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.36 88.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 tp -53.25 -51.72 61.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.245 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.39 -50.27 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.244 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.75 -44.22 85.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -171.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.72 -16.82 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -174.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -121.49 38.2 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.2 p -73.39 -18.38 61.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.256 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -84.65 79.9 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 176.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -69.24 -16.73 63.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.185 -173.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -86.81 -13.4 45.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -110.0 -19.47 13.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -54.0 127.01 24.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -60.93 130.7 91.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.27 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.15 -38.98 72.0 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.675 1.583 . . . . 0.0 111.181 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.8 m -116.26 26.3 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -177.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.72 69.39 3.05 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -48.54 135.22 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG23 HG13 ' A' ' 42' ' ' ILE . 33.4 m -100.0 -19.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -174.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.418 HG13 HG23 ' A' ' 41' ' ' VAL . 89.5 mt -120.35 117.31 31.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 171.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -54.57 154.88 18.55 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.747 1.632 . . . . 0.0 111.224 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -72.39 161.63 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -121.86 153.55 38.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.1 p -89.72 169.08 11.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.95 -39.93 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -69.61 -39.1 77.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.05 -50.02 74.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.202 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.5 mt -71.71 -30.07 65.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.5 mt -137.42 77.0 41.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.235 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -58.21 -37.77 93.98 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.697 1.598 . . . . 0.0 111.213 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -77.32 -10.12 59.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -174.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.6 mmm -101.09 -0.02 37.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -118.0 109.41 41.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -54.78 -32.16 75.46 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.695 1.597 . . . . 0.0 111.198 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 m -52.48 -33.18 43.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.9 mt -97.34 -49.33 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.2 tp -54.46 -47.17 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.214 -169.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.2 p -100.11 10.09 41.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.22 -168.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -123.65 107.25 31.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.39 -30.07 61.55 Favored 'Trans proline' 0 C--N 1.327 -0.589 0 C-N-CA 121.699 1.6 . . . . 0.0 111.236 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 96.6 m -68.95 -18.43 64.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -170.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -99.89 9.95 42.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -170.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -160.23 165.12 32.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 172.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.73 177.87 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 -173.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -110.94 142.85 42.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.252 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.4 mt -92.29 134.7 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.3 p -105.09 -37.35 6.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 179.63 143.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 82' ' ' ALA . 84.0 m-85 -97.54 136.78 37.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 167.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -100.46 -57.35 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -170.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -160.01 159.69 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -170.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.1 t -131.93 127.39 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 29.7 p -158.71 159.67 35.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 55.12 31.05 15.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 66.19 20.5 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -138.81 160.01 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.79 141.85 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -164.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -117.96 123.6 46.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 72' ' ' PHE . . . -147.12 -174.42 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 -175.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 t -131.88 143.9 50.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 174.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.1 pt -130.53 168.41 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.189 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -145.0 160.34 41.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.195 -175.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -130.78 -152.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 170.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.1 m -65.62 -25.63 67.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.246 -174.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.4 p -100.1 -110.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -102.47 -170.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -111.49 179.32 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -170.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 tt -160.08 146.74 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 173.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.21 144.32 53.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.248 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -135.0 137.12 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -118.34 119.84 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -93.69 117.0 29.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 80.8 p -65.23 163.86 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -173.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -55.36 -40.03 70.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.75 -45.76 93.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 96' ' ' SER . 49.5 t -56.79 -47.7 79.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 177.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.26 -49.64 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.248 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.6 m -57.29 -50.32 73.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.05 -48.52 75.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' A' ' 111' ' ' ILE . 37.6 t80 -53.91 -45.58 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.6 -39.97 76.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.11 -36.98 86.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 78.0 m -69.95 -50.04 45.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.7 m-70 -100.75 -6.22 25.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -170.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 54.78 40.42 31.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.237 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 28.4 p -161.48 170.0 20.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.36 144.08 33.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.2 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.412 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 15.7 tt -67.03 -19.9 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.206 -179.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.9 p -86.78 -12.32 48.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 t -92.03 123.14 35.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 54.99 42.2 31.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 172.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.564 ' HA ' ' SG ' ' A' ' 118' ' ' CYS . 0.6 OUTLIER -149.94 9.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -179.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.8 p -69.83 -14.97 63.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -140.01 40.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 115' ' ' THR . 74.4 m -126.67 176.31 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -171.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 65.6 mt -95.39 142.09 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.2 ttp -131.32 141.43 49.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.192 -171.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.425 HG12 ' HB2' ' A' ' 163' ' ' PHE . 43.8 mm -103.26 133.82 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 168.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 37.5 pt -128.59 148.81 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -157.0 164.28 32.7 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.8 t0 48.96 77.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.263 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.25 149.93 40.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -174.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -129.9 172.8 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.6 tp -109.03 132.46 54.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.65 162.3 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -119.51 131.0 55.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.27 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.2 m -122.97 159.51 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 63.5 p -78.64 164.78 24.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 -172.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -50.02 -45.18 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 169.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.9 m -55.62 -47.63 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.86 -39.53 87.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.9 92.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.208 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.4 ttp -73.95 -40.35 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 177.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.3 t -69.04 -44.53 72.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 -174.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.61 -54.3 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.228 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 36.0 m-85 -78.11 -18.83 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 13.8 mmmm 74.57 20.13 2.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.229 176.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 40.5 mm -127.72 109.81 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.7 p -70.08 155.12 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 176.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.2 mt -105.44 -32.24 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -177.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 148' ' ' SER . 95.1 p -65.84 -19.88 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.16 -7.73 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -171.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.9 pt -120.78 -25.25 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -173.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 93.5 p -148.9 -19.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 -174.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 144' ' ' SER . 48.2 m 65.75 40.16 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.236 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -109.24 179.89 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.206 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -109.84 -31.67 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.7 pt -134.8 160.33 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.87 134.93 19.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.281 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.47 140.14 43.02 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.673 1.582 . . . . 0.0 111.214 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 86.7 t -138.97 133.77 41.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 52.6 tp -88.95 117.87 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -97.62 111.96 24.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 98.5 t -109.93 132.49 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -169.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -101.82 -32.93 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -117.19 131.61 56.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -154.92 150.96 27.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.9 t -157.13 162.91 39.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 176.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 95.8 mt -80.05 135.57 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.425 ' HB2' HG12 ' A' ' 121' ' ' ILE . 84.9 t80 -100.1 -53.61 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 176.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -166.11 168.69 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 42.8 pt -103.52 27.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -175.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -59.8 124.68 20.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.13 117.26 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -171.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 92.5 t -98.44 139.55 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.88 140.74 25.35 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 55.3 m -99.96 177.28 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.71 0.291 . . . . 0.0 111.253 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 56.5 tp -90.32 126.06 35.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -176.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 89.7 p -112.09 0.08 15.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.183 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 174' ' ' PHE . 15.1 t -139.27 -157.79 0.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.409 ' N ' ' OG1' ' A' ' 173' ' ' THR . 15.0 m-30 -64.61 142.89 98.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 176.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -52.29 131.94 42.04 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.645 1.563 . . . . 0.0 111.197 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.434 ' HA ' ' HB3' ' A' ' 179' ' ' LYS . 22.0 m-30 -69.93 -19.94 63.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.272 -178.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.7 p -57.2 -20.14 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -110.36 -43.45 3.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.243 171.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 176' ' ' PHE . 62.8 tttp -60.39 -47.27 86.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.271 -171.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -115.99 36.88 3.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.199 -1.562 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 178.394 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -89.23 -3.88 58.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -63.51 142.03 58.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.5 p -89.3 2.97 53.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.226 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.4 t -51.68 -42.16 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.233 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -69.99 -24.61 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.7 tp -94.29 97.27 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.404 ' H ' ' HB3' ' A' ' 63' ' ' PRO . 94.2 mm-40 -110.0 159.16 32.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 172.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.39 118.37 4.79 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.737 1.625 . . . . 0.0 111.122 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -134.03 -17.89 2.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.4 mt -68.72 -32.97 57.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -63.76 -42.94 97.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.236 172.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -29.91 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.192 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD22 HG21 ' A' ' 41' ' ' VAL . 97.0 mt -54.36 -43.5 71.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.573 HD12 ' C ' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -95.12 -20.62 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.21 -175.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.9 -47.98 75.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.248 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.45 -19.83 55.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.237 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -117.75 40.44 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.191 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.6 p -82.56 -7.98 59.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -95.25 21.92 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -80.04 160.98 25.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -88.8 -164.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.222 176.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 35' ' ' TYR . 99.7 mm-40 -50.13 110.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 35' ' ' TYR . 48.0 p90 29.94 52.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -174.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -90.33 123.0 66.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.36 159.36 46.92 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.758 1.639 . . . . 0.0 111.201 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 t -120.58 -160.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.82 -158.45 34.56 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 90.4 m-70 -74.99 140.05 43.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 111.175 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG21 HD22 ' A' ' 25' ' ' LEU . 29.1 m -123.71 -19.08 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.208 -175.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.9 mm -108.96 122.32 40.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 172.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -54.08 150.43 31.61 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.738 1.625 . . . . 0.0 111.228 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 t -76.63 136.78 39.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -106.92 145.74 31.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.5 p -91.43 175.39 6.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.48 -41.44 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -67.13 -40.9 86.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.211 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.95 -42.56 85.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.58 -37.08 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.78 63.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.287 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.0 mt -131.31 69.88 82.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.22 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.26 -24.95 26.8 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.649 1.566 . . . . 0.0 111.194 -177.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -80.07 -6.01 56.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.4 mmm -109.41 8.55 25.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -117.91 106.38 45.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -55.61 -32.35 82.91 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.72 1.613 . . . . 0.0 111.164 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.9 p -67.18 -15.26 63.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.6 mt -99.85 -43.43 11.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 170.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.2 mt -57.77 -38.1 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 -173.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.2 p -103.97 17.41 24.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -129.72 105.13 17.11 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.209 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 88.0 Cg_exo -54.38 -29.88 60.58 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.729 1.619 . . . . 0.0 111.18 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.5 m -57.56 -30.06 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -171.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -88.09 -8.09 56.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.259 -172.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -94.83 132.42 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.92 140.41 25.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 168' ' ' VAL . 87.9 mttt -119.92 111.72 18.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 174.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.8 131.08 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.8 p -106.01 -30.63 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -174.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -170.05 140.68 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.282 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -94.69 147.11 23.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 168.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -117.7 -37.93 3.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.18 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -150.11 92.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.8 t -90.77 117.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 81.5 m -134.64 164.74 26.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -59.95 103.52 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.308 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 70.5 17.96 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.239 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 98.4 mttt -149.34 69.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.2 t -97.62 131.63 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.501 ' HB3' ' CD2' ' A' ' 139' ' ' PHE . 96.6 m-85 -118.16 124.02 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.35 -168.71 3.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -174.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.401 ' HB3' HD23 ' A' ' 92' ' ' LEU . 23.6 p -132.11 146.01 51.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 172.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.14 154.87 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.611 ' NH2' ' O ' ' A' ' 88' ' ' SER . 64.3 ttt-85 -128.48 147.33 50.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -106.29 -146.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 168.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -59.99 -41.97 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.611 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 42.5 t -120.35 -54.54 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -165.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -111.8 165.54 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -165.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' H ' ' HB3' ' A' ' 176' ' ' PHE . 20.2 tt0 -125.29 145.91 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 177.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 tt -140.23 141.07 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.425 ' HB2' HG22 ' A' ' 154' ' ' VAL . 77.1 mt -60.53 146.26 45.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 173.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.61 143.18 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -118.9 132.68 56.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.186 173.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.69 123.12 44.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 99' ' ' CYS . 59.3 p -70.68 164.16 25.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -46.23 -38.08 8.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.259 169.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.69 -52.23 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 157' ' ' VAL . 57.4 m -51.58 -50.56 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.13 -44.66 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.192 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.0 p -61.15 -33.9 74.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -61.37 -46.5 89.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.236 174.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -65.1 -29.86 70.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.168 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.9 -40.79 38.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.04 -58.79 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 93.1 m -72.34 -49.4 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -173.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.522 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 92.4 m-70 -90.01 -14.6 33.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.238 -174.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 48.42 47.16 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 27.6 p -158.46 175.9 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.194 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -79.97 154.53 28.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.236 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.02 -19.96 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.8 p -90.78 -12.54 36.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 t -90.0 140.26 29.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 52.1 53.69 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.3 m -124.93 -45.28 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.271 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.1 m -57.83 -45.95 85.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.197 -173.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -101.26 26.65 6.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.5 m -131.23 165.07 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.275 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.4 tp -113.96 129.91 56.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.209 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 56.2 ttp -92.87 138.58 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.1 mm -116.38 125.86 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 171.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.9 pt -113.09 154.46 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 -171.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -154.84 155.37 26.17 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 48.5 t0 54.55 71.81 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.28 138.74 53.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 40' ' ' HIS . 10.1 t0 -110.44 134.74 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.6 tp -89.0 127.41 35.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.36 177.68 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -130.0 139.98 50.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 174.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 24.2 m -125.22 154.68 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.215 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.6 p -92.6 168.8 10.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -49.98 -46.37 52.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.4 t -59.31 -50.05 75.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -59.99 -40.37 88.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.46 98.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.255 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.3 mtm -69.34 -30.05 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.7 p -85.7 -26.39 25.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 68.2 m170 -105.69 -63.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.501 ' CD2' ' HB3' ' A' ' 81' ' ' TYR . 73.2 m-85 -79.91 -19.98 46.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.233 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt 70.03 35.21 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 141' ' ' ILE . 17.6 tt -149.7 124.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 178.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.2 t -65.08 142.52 58.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.56 -20.96 42.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 96.1 p -68.29 -13.78 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -95.08 -11.93 27.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.227 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.9 pt -131.45 6.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.9 t -159.57 152.7 22.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 94.7 p -81.5 -13.07 58.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -111.25 166.63 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.275 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -97.67 9.38 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -176.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -135.88 146.22 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 173.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.34 155.82 67.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.75 147.65 45.18 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.734 1.623 . . . . 0.0 111.177 173.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 92' ' ' LEU . 87.0 t -138.24 137.31 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 37.3 tp -97.74 116.24 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -96.23 100.12 11.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.219 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.463 ' O ' ' SG ' ' A' ' 99' ' ' CYS . 75.7 t -94.1 126.28 46.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -170.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -85.12 -48.68 8.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -114.22 134.98 54.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.53 130.99 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.5 p -130.98 158.96 38.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 171.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 90.3 mt -129.85 127.91 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -131.5 154.12 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.223 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -73.8 72.48 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 92.6 mt -104.5 -42.06 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -158.13 125.6 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -64.76 156.2 31.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 68' ' ' LYS . 84.8 t -78.64 135.08 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -87.83 -170.25 46.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 86.9 p -73.3 161.62 30.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.818 0.342 . . . . 0.0 111.149 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 66.9 tp -110.11 121.41 45.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.181 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 30.1 t -62.24 150.19 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 69.2 p -91.09 -12.07 36.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -76.67 156.26 82.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.231 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.75 152.48 28.04 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.743 1.629 . . . . 0.0 111.173 176.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.406 ' HB3' ' H ' ' A' ' 90' ' ' GLN . 79.6 m-85 -114.45 -146.1 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.249 -177.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.4 -20.14 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 -176.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -57.58 -25.6 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -73.08 -6.33 44.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -96.57 4.65 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.201 -1.493 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 177.479 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.798 0.333 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -76.7 -15.94 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -74.47 -20.91 59.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.4 p -88.7 -4.86 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.3 t -67.88 -40.73 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 25.5 p90 -95.71 1.09 53.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 -178.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -95.55 9.29 40.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 173.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -70.42 156.1 92.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.242 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.36 142.45 54.72 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.709 1.606 . . . . 0.0 111.165 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -142.39 -22.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.192 -173.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.71 -50.05 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -55.75 -54.57 42.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.48 96.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.6 tp -61.89 -40.97 97.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 -175.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.21 -53.04 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -62.85 -40.46 97.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -173.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.05 -29.05 69.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -110.58 11.83 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 -175.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -166.94 96.32 0.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.278 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -89.96 -173.63 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -56.05 121.35 9.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 58.85 35.27 24.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -123.1 109.7 14.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.194 175.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -63.51 135.3 56.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -62.89 129.42 93.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.54 160.01 7.71 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.667 1.578 . . . . 0.0 111.204 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.9 p -83.63 -4.17 58.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.237 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.12 162.74 53.85 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -77.01 160.98 28.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 111.207 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.06 -21.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.26 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.3 mt -120.3 120.97 29.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -55.02 154.82 20.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.704 1.603 . . . . 0.0 111.213 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -74.88 142.27 44.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -175.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.5 mt -108.37 146.85 32.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.4 p -101.34 176.11 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.208 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.59 -41.79 66.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.6 -38.07 88.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -68.11 -40.13 82.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.5 mt -76.25 -35.5 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.12 -40.29 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.282 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 mt -127.78 71.16 77.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.195 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.64 -26.21 33.56 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.752 1.634 . . . . 0.0 111.15 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -78.15 -7.1 56.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.2 mmm -109.94 16.5 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 174.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.2 t -125.53 97.98 35.58 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -55.55 -31.95 80.82 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.693 1.595 . . . . 0.0 111.212 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.6 p -64.13 -20.31 65.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -93.2 -49.45 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 172.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.44 -30.06 70.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -167.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.7 p -95.04 3.54 54.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 -174.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -125.99 106.61 25.4 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.431 ' HG3' ' HA ' ' A' ' 17' ' ' PHE . 77.2 Cg_exo -55.55 -27.13 58.22 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.674 1.582 . . . . 0.0 111.198 177.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.0 m -64.95 -16.61 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 -175.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -95.69 21.16 8.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -136.85 146.45 45.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -160.2 160.79 33.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -121.24 134.77 55.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.418 ' HA ' HG22 ' A' ' 84' ' ' ILE . 10.2 tp -68.46 145.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -115.12 -38.8 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.201 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -172.22 143.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.87 142.85 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 168.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -114.63 -56.64 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.222 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.443 ' OD1' ' SG ' ' A' ' 76' ' ' CYS . 59.5 t-20 -129.06 98.81 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.8 t -103.77 112.66 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.443 ' SG ' ' OD1' ' A' ' 74' ' ' ASN . 85.1 m -130.07 175.94 8.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 178.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.464 ' HA ' ' NH1' ' A' ' 110' ' ' ARG . 88.5 m-20 -59.91 102.48 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -178.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.416 ' HB3' ' HA ' ' A' ' 97' ' ' GLN . 78.1 m-85 66.48 20.34 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -141.27 89.71 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.26 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.4 t -110.38 125.4 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.228 -175.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -115.48 118.59 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.235 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.07 -172.27 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -171.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -134.02 140.87 46.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.418 HG22 ' HA ' ' A' ' 69' ' ' ILE . 2.6 pp -128.43 172.41 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -149.24 165.91 30.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -106.49 -149.97 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 161.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -74.75 -3.41 31.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -172.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.5 p -142.72 -65.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.198 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -93.17 159.64 15.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 -166.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -131.5 139.5 49.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -147.8 147.44 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.191 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.37 151.42 46.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.9 p -141.16 137.73 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -116.85 136.98 52.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.211 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -108.35 113.71 26.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.275 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.0 p -71.33 170.64 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -173.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 65.7 tt0 -56.21 -43.8 78.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.95 -40.03 94.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 96' ' ' SER . 36.4 t -57.28 -52.62 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.57 -42.86 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.8 m -57.91 -52.95 63.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.276 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.81 -44.24 90.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.88 -43.03 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -69.91 -40.01 75.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.212 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.27 -35.06 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.6 m -79.44 -50.96 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -109.71 3.54 21.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.23 -168.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 56.23 37.27 28.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.1 161.33 31.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.464 ' NH1' ' HA ' ' A' ' 77' ' ' ASP . 82.7 mtt180 -80.12 161.15 25.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.1 mm -47.9 -43.89 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 95.1 m -68.36 -32.37 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.242 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.3 t -79.58 128.96 34.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -170.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 60.13 45.74 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 171.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.448 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 52.5 p -133.53 -2.04 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 175.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 98.2 m -53.12 -47.75 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -174.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -116.62 29.89 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 83.3 m -117.58 138.12 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 46.5 tp -71.86 128.24 35.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 175.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 98.0 mmm -95.49 145.26 25.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.234 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 71.3 mt -108.79 136.02 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 170.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.8 mt -114.8 132.44 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -136.4 153.5 21.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.6 t0 44.12 72.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 111.176 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 156' ' ' ASN . . . -132.23 144.07 50.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.227 -174.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -132.44 131.72 42.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.9 mt -80.92 125.73 30.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 174.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.0 159.93 42.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.297 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -90.67 129.88 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.2 m -124.98 160.12 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 171.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.1 p -86.3 166.13 15.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -171.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -50.08 -45.51 52.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 168.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 71.6 m -55.74 -46.24 77.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.63 -39.14 88.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.74 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.0 tpp -80.03 -47.92 14.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.3 p -73.61 -25.83 60.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 -169.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -110.28 -44.76 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.172 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -107.47 2.61 24.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 52.13 40.24 28.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.4 tt -142.97 130.23 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 70.6 m -65.35 137.75 57.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 54.2 tp -109.09 -48.33 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.4 p -70.68 -10.01 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.238 -175.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -103.96 2.39 32.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 49.1 pt -128.11 -19.98 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.6 p -121.11 179.94 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 91.3 p -100.83 3.11 41.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -120.07 168.0 11.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -107.66 -0.52 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.2 pt -128.88 147.83 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.9 p -143.81 136.6 13.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -174.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.96 139.97 64.12 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.751 1.634 . . . . 0.0 111.185 174.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.36 140.04 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.206 177.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 33.8 tp -91.52 110.11 21.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 -171.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 125' ' ' ALA . 54.4 t-20 -90.45 116.81 28.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.33 137.4 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 -169.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -109.96 -26.66 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -125.54 142.67 51.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.62 151.11 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.1 t -160.16 -179.61 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.205 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 98.4 mt -108.07 143.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.21 -176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -132.45 110.06 10.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -80.1 105.79 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.7 tp -162.11 -30.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -150.42 118.02 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.16 150.15 47.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.232 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 87.0 t -72.77 124.81 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.206 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -88.63 163.36 32.31 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.2 p -69.99 156.9 38.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.754 0.312 . . . . 0.0 111.23 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.9 tp -78.39 132.9 37.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.21 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 10.2 t -131.91 -165.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 44.7 p -81.28 74.24 8.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -108.28 155.04 40.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 174.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.5 120.31 7.15 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.701 1.601 . . . . 0.0 111.196 174.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -110.14 174.94 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 -174.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.81 -43.98 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.214 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -72.42 -21.52 61.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -72.78 -33.3 66.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -100.06 25.49 7.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 -178.125 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.828 0.346 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -77.3 -14.88 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.285 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.74 -25.03 61.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -81.32 -6.55 59.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.39 -39.98 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.408 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 30.3 p90 -102.22 5.07 39.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -100.39 28.55 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -94.88 155.17 39.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.234 174.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.15 143.41 71.3 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.72 1.613 . . . . 0.0 111.247 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -144.7 -23.89 0.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -172.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.46 -50.58 79.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.98 -49.96 75.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.211 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.95 94.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.32 -41.09 98.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.6 -54.94 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 176.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.11 -43.59 74.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.53 -30.74 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.255 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -112.49 12.49 20.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 -173.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.5 t -159.12 99.45 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -89.95 -179.34 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.97 120.8 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 57.27 35.41 26.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -120.33 116.16 24.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -65.02 136.69 57.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -63.39 131.63 94.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.188 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -54.05 161.64 4.81 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 121.722 1.615 . . . . 0.0 111.203 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.8 p -82.23 -3.44 55.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.43 173.9 52.71 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -89.22 160.93 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 111.22 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.6 m -114.59 -20.22 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.0 mt -119.9 120.0 30.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 171.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -55.01 153.87 24.15 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.727 1.618 . . . . 0.0 111.195 -175.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 t -72.17 140.5 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.3 mt -109.87 145.23 37.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.253 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.3 p -100.11 176.24 5.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.51 -42.19 70.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.45 -39.62 92.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -65.52 -43.71 89.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.19 -31.84 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.07 -45.63 66.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.8 mt -129.42 72.97 81.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.56 -25.78 29.16 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.692 1.595 . . . . 0.0 111.206 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -78.94 -9.92 59.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 97.5 mmm -104.93 4.1 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 t -119.08 106.86 42.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -54.95 -31.68 75.03 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 121.635 1.557 . . . . 0.0 111.141 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.7 p -64.24 -18.68 64.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -175.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.2 mt -104.1 -50.05 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.68 -38.65 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -168.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.3 p -101.61 14.58 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -173.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -127.72 104.16 21.39 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HG3' ' HA ' ' A' ' 17' ' ' PHE . 68.1 Cg_exo -56.61 -26.58 65.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.746 1.631 . . . . 0.0 111.179 178.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.9 m -64.89 -16.2 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.158 -173.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.07 9.79 42.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -125.71 149.57 48.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.6 160.02 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -119.27 144.57 46.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 176.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.44 ' HA ' HG22 ' A' ' 84' ' ' ILE . 96.6 mt -88.53 139.49 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -174.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.3 p -108.14 -38.51 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -176.84 141.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -92.99 143.1 26.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 168.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.71 -54.37 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -138.76 73.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.281 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 80' ' ' VAL . 92.4 t -79.04 114.61 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 176.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.1 m -130.0 174.24 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -50.88 99.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 61.96 23.42 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.183 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -140.03 89.94 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 75' ' ' VAL . 86.2 t -104.25 129.43 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -174.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.45 119.24 27.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.194 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.69 -173.61 4.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -172.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -128.79 143.13 50.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.44 HG22 ' HA ' ' A' ' 69' ' ' ILE . 2.5 pp -131.71 175.09 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 176.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -154.06 167.2 30.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -109.84 -144.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 166.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.0 m -85.7 9.5 16.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.1 p -150.62 -66.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -97.56 155.64 16.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -165.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -123.96 138.75 54.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.9 tt -148.3 149.75 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HB2' HG22 ' A' ' 154' ' ' VAL . 94.1 mt -70.28 150.23 46.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 178.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.39 139.44 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.241 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -128.28 151.83 48.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -121.58 127.78 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.261 -173.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 91.2 p -70.21 167.53 17.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -174.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.4 -41.51 89.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.12 -39.95 93.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 96' ' ' SER . 46.2 t -56.72 -52.67 64.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.97 -44.93 99.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.1 m -55.4 -52.41 63.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -65.0 -44.26 89.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.179 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -55.02 -47.31 74.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.01 -42.98 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.92 -37.1 85.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.3 m -71.05 -52.31 20.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.418 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.2 m-70 -99.85 -7.88 24.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.296 -169.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 53.73 42.49 31.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 23.2 p -155.13 172.54 17.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.11 164.01 23.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.6 tp -64.76 -19.9 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.5 p -96.15 -9.32 30.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.0 t -90.1 121.79 32.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -172.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 60.92 36.26 18.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.3 p -126.61 -21.42 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 92.7 m -58.03 -43.66 86.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -116.51 25.11 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.227 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.14 141.65 51.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.29 133.49 47.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.195 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 95.1 mmm -104.01 148.32 26.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -174.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 78.8 mt -109.82 136.63 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.203 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.6 mt -119.4 137.03 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.97 158.18 27.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.6 t0 44.61 70.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 0.0 111.232 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.24 146.43 48.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.223 -174.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -140.02 150.76 44.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.8 mt -91.28 132.77 35.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.1 m -135.21 149.24 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 174.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -92.6 131.13 37.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.74 160.93 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.9 p -88.75 166.77 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.194 -174.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -48.74 -46.79 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 169.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.5 m -54.53 -49.61 69.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.55 -38.89 92.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.83 -25.62 66.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.212 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.3 mtp -90.05 -30.04 17.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 85.2 p -85.94 -21.29 27.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -116.87 -42.54 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -108.63 -2.94 18.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -174.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 55.13 40.13 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 171.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.0 tt -149.11 120.08 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.7 t -70.47 144.98 51.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 88.5 mt -92.64 -34.09 14.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.212 -174.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.4 p -71.74 -10.08 59.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.289 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -105.67 1.71 27.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.7 pt -130.16 -15.17 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.254 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 53.2 p -141.97 -179.94 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.6 p -94.61 -0.13 54.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.168 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -122.69 162.72 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -108.62 17.04 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 85.6 mt -135.02 130.23 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 176.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.76 137.06 29.46 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.196 -171.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.06 140.1 40.75 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.723 1.615 . . . . 0.0 111.236 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.423 HG22 ' HB2' ' A' ' 92' ' ' LEU . 90.2 t -134.22 136.63 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.42 113.07 22.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.179 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -94.0 122.76 36.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 85.6 t -114.7 131.3 67.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -170.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.16 -36.04 9.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -117.2 136.32 53.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.57 151.27 25.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.259 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.9 t -160.04 165.14 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 84.1 mt -92.97 138.28 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -140.0 89.2 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.206 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -65.72 106.5 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.197 -178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 10.2 tp -152.32 -28.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -136.45 109.33 7.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 176.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.41 131.44 50.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.54 120.76 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -91.24 172.44 36.43 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 87.4 p -71.24 161.29 31.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 111.185 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 30.8 tp -69.99 117.75 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 73.5 m -100.09 173.91 6.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 40.2 p -80.14 69.87 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -174.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -109.78 156.73 39.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.02 136.58 48.93 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.685 1.59 . . . . 0.0 111.153 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -116.2 170.6 8.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.245 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 74.1 t -69.39 -49.19 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -69.19 -21.56 63.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -75.75 -35.26 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -99.76 29.2 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.227 174.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.739 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.339 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.2 p -89.13 -11.27 44.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -56.16 -42.63 77.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.5 p -90.73 -3.21 57.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.277 -173.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.43 -54.1 11.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.197 -176.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -73.17 -9.44 58.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.16 5.12 35.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -79.46 153.9 76.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.17 152.79 56.63 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.652 1.568 . . . . 0.0 111.283 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -143.89 -23.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.23 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.55 -39.54 82.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.261 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -45.05 -62.97 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.205 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.57 95.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.227 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.2 tp -48.61 -49.98 34.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -85.26 -50.8 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.173 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.69 -39.94 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.193 -171.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -89.69 -9.26 50.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.23 -172.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -136.82 28.71 2.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -174.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.7 p -77.0 -21.76 54.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.25 73.64 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.442 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 76.5 m80 -67.97 -8.04 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -58.38 -36.66 73.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -116.57 -30.29 5.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.442 ' HB3' ' HA ' ' A' ' 32' ' ' HIS . 77.0 t80 -66.65 139.9 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -53.4 129.94 52.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -53.21 -33.37 64.47 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.683 1.589 . . . . 0.0 111.205 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -125.56 32.99 5.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -48.56 118.88 5.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -64.15 139.01 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 111.227 -178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -120.0 -61.56 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 91.2 mt -99.3 119.85 59.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -170.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -54.34 154.96 17.4 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.731 1.62 . . . . 0.0 111.23 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 m -69.04 143.83 54.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.246 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.56 149.96 33.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -88.05 171.16 10.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.8 -40.03 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.24 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.34 -40.04 77.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.22 -48.94 79.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.258 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.7 -30.15 66.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.42 71.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.8 mt -136.23 75.46 52.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.214 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -57.26 -37.02 99.01 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.676 1.584 . . . . 0.0 111.221 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -77.4 -6.29 52.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 -174.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.1 mmm -105.22 4.92 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.4 t -114.8 109.23 47.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.211 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -55.3 -33.27 84.42 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.691 1.594 . . . . 0.0 111.215 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.9 p -67.17 -16.99 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -99.57 -39.77 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.218 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.94 -37.91 74.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.2 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.3 p -98.44 10.04 41.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 -173.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -130.67 116.82 17.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.163 -177.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.13 -18.67 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.656 1.571 . . . . 0.0 111.234 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.2 p -65.96 -18.93 65.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -174.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -89.16 -3.94 58.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -109.89 131.98 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.58 141.54 37.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -106.01 106.22 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.5 mt -73.7 121.65 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.9 p -98.98 -29.47 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -179.19 141.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -104.26 159.83 15.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.167 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.66 -58.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -170.01 179.93 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -174.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.2 m -125.44 157.62 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 44.6 t -164.27 132.73 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 55.87 39.98 30.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 66.65 18.98 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.277 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -113.9 167.09 10.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.88 140.14 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.224 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -119.75 124.4 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.93 -177.63 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 -172.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.5 m -126.53 139.58 53.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 174.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.5 pt -128.0 168.35 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' HB3' ' HG2' ' A' ' 90' ' ' GLN . 36.5 ptt180 -149.28 171.02 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 175.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -141.95 -151.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 172.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -62.37 -29.21 70.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.3 p -98.22 -114.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -101.18 -175.79 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.252 -173.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.435 ' HG2' ' HB3' ' A' ' 85' ' ' ARG . 73.2 mt-30 -100.07 169.62 9.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -174.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -160.0 139.91 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.63 145.05 52.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 173.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -136.49 147.61 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.64 129.79 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.485 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 88.7 m-85 -105.23 134.27 48.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.209 -175.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.9 p -70.08 167.7 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -171.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -57.78 -40.08 78.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.195 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.41 -48.3 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 175.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 46.7 t -57.4 -53.15 61.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.68 -46.5 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -61.42 -52.09 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.214 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.95 -44.34 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -52.86 -52.42 57.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.263 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.91 -35.41 79.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.205 -171.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.12 -37.0 85.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.9 p -95.81 -24.48 16.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 94.9 m-70 -107.46 -12.75 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 50.13 45.92 25.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 31.2 p -160.77 171.3 19.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.79 141.44 40.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 17.4 tt -67.16 -20.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.6 p -82.18 -19.96 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.9 p -90.17 159.86 16.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 55.17 41.5 31.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 -177.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 41.7 p -111.53 -9.78 14.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.5 m -77.05 -59.44 2.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 167' ' ' GLN . 53.4 p-10 -100.16 20.04 15.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.239 -173.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 64.9 m -129.94 164.93 23.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 68.2 mt -110.04 154.34 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.441 ' SD ' ' HB1' ' A' ' 160' ' ' ALA . 47.5 tpp -102.71 130.31 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.8 mm -103.41 110.44 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.249 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 89.9 mt -101.61 140.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.181 -169.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.05 161.13 27.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 175.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.0 t70 43.53 77.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.166 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.61 153.28 43.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -132.93 170.27 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.258 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.8 tp -102.43 132.29 48.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 34.5 m -132.34 174.23 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.185 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -113.15 142.89 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.207 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 78.1 t -132.58 137.56 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.186 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.1 p -92.82 170.5 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -50.5 -59.76 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 173.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.7 p -59.94 -35.44 74.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -174.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 21.1 tpp85 -70.53 -39.17 74.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.29 -25.53 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.247 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 97.8 mtp -73.39 -36.46 66.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 173.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.2 p -83.96 -25.73 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.276 -176.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -107.07 -64.16 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -79.16 -9.49 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 65.66 30.65 10.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.4 tt -149.62 123.9 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 -178.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.5 t -66.83 141.2 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.247 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.4 mt -82.08 -25.11 34.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 86.9 p -67.52 -17.01 64.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -84.68 -18.04 36.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.0 pt -136.32 19.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.8 t -163.3 153.9 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.225 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 93.4 p -85.62 -5.34 59.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -120.39 170.03 9.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.89 24.81 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.216 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.4 pt -129.44 157.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.6 p -158.06 132.56 5.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 174.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.67 141.16 30.49 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.66 1.573 . . . . 0.0 111.231 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 72.6 t -136.6 140.01 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.283 -173.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 54.6 tp -88.98 117.9 28.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -97.87 112.81 24.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 84.3 t -108.05 132.45 55.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.216 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -96.38 -31.11 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.97 140.29 38.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.441 ' HB1' ' SD ' ' A' ' 120' ' ' MET . . . -170.9 148.12 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.9 p -135.58 153.34 51.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.216 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 95.7 mt -108.25 137.63 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -174.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -137.13 144.08 42.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 175.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -73.34 74.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 91.6 mt -94.6 -45.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.209 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -161.01 151.1 17.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 117' ' ' ASN . 61.9 tt0 -79.89 143.53 34.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 -178.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 56.4 t -113.49 144.34 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -74.99 -177.96 40.66 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 89.0 p -80.86 170.05 16.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.761 0.315 . . . . 0.0 111.234 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 59.7 tp -80.87 127.83 32.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 92.0 p -70.34 159.81 33.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 97.9 m -64.16 -36.93 85.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -122.86 94.85 47.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.204 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.72 151.92 30.12 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.698 1.599 . . . . 0.0 111.203 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -91.5 5.39 49.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 -177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.52 -19.73 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.215 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -94.62 5.26 52.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -175.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -83.19 -15.82 49.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.248 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -103.27 8.24 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -177.775 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.9 p -88.24 -15.81 34.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -66.71 142.09 57.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.0 p -97.7 10.43 40.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.279 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.5 m -64.79 -20.33 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -172.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -64.68 -24.24 67.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.189 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt -102.98 107.21 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.425 ' H ' ' HB3' ' A' ' 63' ' ' PRO . 99.1 mm-40 -109.18 159.11 32.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 174.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.92 130.06 35.95 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.693 1.596 . . . . 0.0 111.178 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 70.2 p-90 -140.61 -21.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.4 mt -64.71 -53.43 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -174.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.19 -40.18 73.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.2 77.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.8 mt -72.55 -29.03 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.87 -49.88 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -60.37 -37.12 79.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.11 -27.96 64.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -111.99 19.18 18.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -69.11 -19.48 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.25 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -101.36 20.08 16.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -89.98 162.24 15.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -57.64 145.09 35.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' TYR . 99.4 mm-40 -65.66 147.66 53.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 35' ' ' TYR . 50.1 p90 32.94 50.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -137.03 129.72 17.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.248 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.75 140.97 77.3 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.639 1.559 . . . . 0.0 111.233 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.2 t -112.4 -164.16 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.249 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.92 -172.9 47.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -73.21 143.67 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.9 -13.84 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.9 mt -125.38 127.39 24.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -53.62 154.21 16.58 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.762 1.641 . . . . 0.0 111.246 -175.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.4 m -79.05 147.05 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.56 162.72 15.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.233 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.7 p -118.4 171.93 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.217 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.89 -40.01 55.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.74 -31.65 72.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -77.04 -34.65 57.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -79.59 -26.98 41.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.242 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.53 -41.69 60.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 175.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 mt -128.59 68.68 78.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.09 -26.03 31.11 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.682 1.588 . . . . 0.0 111.265 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -79.14 -3.6 46.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 95.8 mtp -118.5 18.81 13.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 174.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 t -121.86 100.08 43.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -54.99 -32.18 77.7 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.736 1.624 . . . . 0.0 111.179 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.3 m -53.56 -33.57 55.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.6 mt -89.07 -49.09 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 175.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.26 -37.37 86.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -166.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.6 p -97.37 7.42 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.207 -171.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -125.79 106.56 26.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 80.4 Cg_exo -54.46 -28.57 54.99 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.749 1.633 . . . . 0.0 111.218 178.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.8 m -64.14 -18.88 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -94.27 2.53 55.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.18 142.64 45.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.22 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.62 163.13 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.235 172.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -128.87 139.97 51.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.9 mt -84.14 135.71 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.233 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.5 p -105.13 -30.4 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -176.97 145.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -102.72 157.45 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 172.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -125.74 -36.84 2.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -174.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -147.1 89.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -94.02 115.86 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 84.9 m -135.06 163.63 29.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.272 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.424 ' OD1' ' NH2' ' A' ' 110' ' ' ARG . 78.4 m-20 -60.01 108.88 0.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 66.22 29.05 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 88.7 tttt -164.72 75.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -178.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.5 t -110.61 135.06 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 -172.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.472 ' HB3' ' CD2' ' A' ' 139' ' ' PHE . 97.8 m-85 -120.58 125.84 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 178.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.39 -173.08 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.9 p -127.3 138.23 53.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.218 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.7 pt -128.24 159.97 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -139.81 159.71 41.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.259 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -110.3 -141.64 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.224 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 m -95.13 15.42 19.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t -142.27 -64.89 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -126.22 -178.14 4.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.198 -167.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -127.84 143.55 51.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.3 tt -137.98 142.88 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.235 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.12 149.66 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 175.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.1 p -135.06 140.09 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -175.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -116.0 133.65 55.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 172.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.85 111.18 23.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.3 p -71.23 168.74 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.271 -174.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.66 -40.32 79.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 173.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.51 -46.92 87.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.04 -56.45 20.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.4 -43.01 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.8 t -61.87 -53.42 56.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.09 -47.17 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.264 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -55.01 -46.47 75.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -69.97 -36.01 74.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 -173.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.44 -38.47 91.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.2 p -90.38 -29.99 17.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -173.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -112.24 -4.94 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.186 -173.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 54.02 42.45 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 28.2 p -164.6 174.53 10.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.424 ' NH2' ' OD1' ' A' ' 77' ' ' ASP . 93.8 mtt-85 -78.3 155.7 30.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -175.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.3 tp -58.45 -23.24 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 59.5 p -90.53 -17.21 27.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.7 m -60.04 110.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.266 -172.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 60.92 31.96 19.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.486 ' HA ' ' HB2' ' A' ' 118' ' ' CYS . 67.4 p -119.19 -23.6 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 172.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.2 m -57.76 -35.16 70.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.223 -177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -116.51 20.2 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.486 ' HB2' ' HA ' ' A' ' 115' ' ' THR . 75.4 m -130.54 -170.86 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.212 -176.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.8 tp -92.86 129.49 38.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.5 ptm -110.24 154.96 22.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.41 ' HB ' HG22 ' A' ' 161' ' ' THR . 44.0 mm -111.42 142.72 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 176.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 82.9 mt -120.56 132.84 69.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.28 158.05 27.59 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.3 t0 52.05 54.85 10.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -124.27 145.6 49.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -169.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -127.84 165.86 19.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 21.3 tp -107.48 133.99 51.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.9 m -137.78 144.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -98.58 132.67 43.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.199 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.2 m -123.79 158.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.5 p -96.91 173.2 7.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -53.13 -46.62 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 173.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 69.8 m -58.27 -47.74 82.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.217 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.43 -37.53 87.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.08 74.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.265 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 78.2 mtm -77.25 -29.95 54.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.214 175.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.4 m -79.78 -32.94 40.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.191 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -107.63 -61.63 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.472 ' CD2' ' HB3' ' A' ' 81' ' ' TYR . 70.1 m-85 -77.34 -16.53 58.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 66.43 33.55 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 141' ' ' ILE . 6.3 tp -148.84 121.16 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.9 t -62.75 138.46 58.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.233 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.09 -24.1 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 89.2 p -61.9 -19.85 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -97.11 -12.45 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.5 pt -137.27 19.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -175.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.9 t -170.78 156.49 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.174 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 90.6 p -90.31 -5.33 56.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 174.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -122.37 153.84 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -90.03 -7.58 53.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 90.3 mt -125.42 121.36 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 174.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.92 147.7 66.47 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 -172.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.88 145.01 49.55 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.723 1.615 . . . . 0.0 111.194 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.39 136.81 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 53.1 tp -95.84 118.17 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -99.37 122.0 41.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.3 t -111.46 141.47 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 -170.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -121.67 -23.37 5.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -125.66 139.79 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 172.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.74 151.14 16.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 121' ' ' ILE . 14.5 t -145.31 -172.71 3.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 169.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 14.1 tt -120.94 130.64 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -165.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.422 ' HD1' ' HA ' ' A' ' 163' ' ' PHE . 1.3 m-30 -122.21 141.83 51.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 170.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.8 p-10 -99.08 20.35 13.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 173.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.89 -50.33 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.259 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -128.42 102.74 6.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -173.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -74.69 159.9 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.16 144.96 29.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.219 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -86.35 -155.44 26.55 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 83.9 p -86.64 -178.88 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.16 -174.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 42.4 tp -64.16 138.14 58.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.246 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 87.1 p -67.78 162.86 22.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.243 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 97.8 m -66.66 -47.09 73.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.92 149.85 43.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -59.24 156.45 35.05 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.694 1.596 . . . . 0.0 111.23 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -91.43 -105.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.43 -26.49 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -70.28 -30.04 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.06 -32.85 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.211 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -126.43 30.92 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.3 tp . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 -175.037 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.844 0.354 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.6 p -89.14 -4.84 58.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.05 140.07 58.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.8 m -63.68 162.81 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 173.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.39 -31.69 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 -173.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -85.62 -0.33 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -172.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.0 mt -92.36 67.93 4.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.259 177.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -91.91 159.27 38.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.91 142.22 74.52 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.702 1.601 . . . . 0.0 111.221 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -149.79 -28.73 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 -172.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG22 HG21 ' A' ' 177' ' ' VAL . 97.3 mt -64.79 -49.32 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -171.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -58.0 -52.44 65.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.1 95.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD11 ' HB ' ' A' ' 41' ' ' VAL . 30.2 tp -56.8 -49.95 73.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.66 -46.73 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -58.02 -40.36 80.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.94 -15.03 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.162 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -120.49 30.86 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.235 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.1 p -65.24 -23.76 67.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -79.85 72.3 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -69.96 -18.92 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -67.2 -28.65 68.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 175.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.27 -30.29 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -53.19 122.12 8.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -57.54 127.88 78.5 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.216 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -54.08 -37.65 86.91 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.705 1.603 . . . . 0.0 111.216 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.6 m -110.2 21.57 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -176.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.54 -179.12 49.36 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -133.14 159.01 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.195 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.419 ' HB ' HD11 ' A' ' 25' ' ' LEU . 35.7 m -117.27 -18.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 98.4 mt -118.97 123.14 29.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 172.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -55.39 154.32 24.58 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.632 1.555 . . . . 0.0 111.202 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.5 t -74.77 135.75 41.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.88 147.77 27.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.6 p -84.89 168.51 14.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.44 -40.2 68.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.269 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.86 -40.11 75.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -57.96 -48.95 78.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.21 -27.33 60.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.173 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.7 87.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.6 mt -134.02 76.69 63.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.29 -37.43 97.78 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.708 1.606 . . . . 0.0 111.211 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -76.14 -10.19 59.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.2 mmm -100.83 3.75 42.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 t -119.29 101.9 48.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -54.19 -33.33 74.41 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.674 1.582 . . . . 0.0 111.205 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.5 m -54.05 -36.84 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.58 -49.26 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.269 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.68 -40.77 80.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.201 -170.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.0 p -90.75 1.47 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -171.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -125.5 110.35 25.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -68.15 -16.53 44.61 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.693 1.595 . . . . 0.0 111.177 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.5 m -62.91 -22.86 67.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.255 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -90.82 -4.95 56.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -107.54 148.3 29.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.59 151.65 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -114.66 121.61 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.217 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.0 mt -78.94 126.97 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.1 p -94.6 -43.6 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -177.09 149.34 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -99.42 149.48 23.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -107.52 -51.99 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -158.49 149.21 20.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.19 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.0 p -135.85 139.19 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 172.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 52.5 t -159.22 127.73 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.19 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 55.66 40.87 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 65.49 19.85 11.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -113.05 108.19 16.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 176.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -103.89 140.65 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.244 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -118.94 122.6 42.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.33 -177.58 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 -172.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 t -125.03 141.18 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.2 pt -130.02 160.69 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -144.69 145.16 31.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -103.77 -149.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 170.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.4 m -70.71 -23.12 62.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.7 p -103.28 -106.88 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -101.02 -176.6 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -119.22 159.98 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -172.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.4 tp -146.21 150.71 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.55 143.45 48.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.235 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.44 148.71 28.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -133.52 152.34 51.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -120.85 138.11 54.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.218 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 59.6 p -70.14 159.47 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.279 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -50.97 -44.1 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.49 -39.26 91.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.7 t -51.6 -58.04 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.78 -42.52 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -174.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.1 m -54.84 -49.84 70.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.58 -45.37 90.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 111' ' ' ILE . 44.9 t80 -50.94 -46.43 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.62 -42.28 91.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.17 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.87 -40.07 95.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.9 m -72.05 -49.61 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.454 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 96.6 m-70 -98.18 -7.42 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.222 -168.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 54.45 38.83 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 31.5 p -160.26 167.78 26.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.92 144.17 33.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.403 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 14.0 tt -70.05 -12.94 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -177.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.9 p -99.64 -9.45 23.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.261 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -97.54 115.81 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -172.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 59.89 46.63 10.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 64.6 p -127.64 -7.9 5.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.223 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.4 p -72.54 -17.54 61.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -173.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -114.71 21.76 14.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.0 m -117.97 170.61 8.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.2 mt -98.93 146.66 25.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.267 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 62.8 ttp -118.82 134.41 55.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -175.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.21 119.93 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.2 pt -115.2 152.69 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.277 -170.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.59 162.32 29.57 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.6 t0 51.78 70.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.8 148.12 51.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 -174.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -135.24 170.07 16.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.7 mt -99.64 134.68 42.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.7 t -129.73 129.72 66.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.41 120.0 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.214 172.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 33.5 m -123.94 148.96 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 172.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.3 p -93.03 168.69 10.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.254 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -49.5 -41.91 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.3 p -58.33 -33.45 69.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.18 -35.45 36.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.268 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.03 -37.99 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 62.5 tpp -79.9 -45.66 18.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.232 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.3 t -66.89 -42.4 85.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -172.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -109.69 -47.02 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 -169.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -85.5 -12.52 51.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.227 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 65.14 35.55 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 20.0 tt -152.84 129.79 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.5 t -60.05 132.89 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.23 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.11 -29.52 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.7 p -62.83 -21.41 65.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -174.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -99.35 -14.28 19.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.256 -173.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.1 pt -120.8 -0.81 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 148' ' ' SER . 53.5 p -152.87 -34.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 169.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 147' ' ' SER . 20.0 m 68.55 24.35 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 -174.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -120.11 172.75 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -86.34 -27.02 24.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 90.0 mt -130.1 140.56 48.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.14 134.49 13.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.92 133.03 16.22 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.75 1.634 . . . . 0.0 111.205 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 32.8 m -127.84 160.82 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.1 tp -98.68 120.27 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.236 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -104.42 120.59 41.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 176.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.6 t -110.19 126.98 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -174.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -81.41 -40.43 23.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -134.31 140.01 46.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -162.51 149.16 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 44.5 p -132.61 161.29 34.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 170.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 87.8 mt -131.84 131.95 61.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.226 -173.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.43 140.7 49.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -77.73 97.24 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 80.9 mt -120.56 -73.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -105.02 135.11 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -64.08 129.97 42.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.19 136.36 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.227 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -76.09 168.26 54.76 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 86.6 p -79.63 166.57 21.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 68.5 tp -74.39 134.05 42.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.236 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.0 t -130.61 -149.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 172.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 42.3 p -80.83 57.78 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 175' ' ' PRO . 22.8 m-30 -79.96 130.81 65.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.238 -177.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 174' ' ' PHE . 73.3 Cg_exo -56.22 140.57 87.84 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.745 1.63 . . . . 0.0 111.192 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -94.41 139.68 30.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.408 HG21 HG22 ' A' ' 22' ' ' ILE . 50.3 t -56.4 -50.54 71.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -64.54 -45.17 88.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.97 -37.11 66.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -119.85 34.75 5.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.453 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.6 p -117.53 17.94 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -54.15 135.23 44.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.1 p -78.23 -10.31 59.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.3 t -49.97 -44.86 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -102.56 8.09 39.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.241 -175.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -107.81 12.47 27.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.243 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -71.6 149.54 93.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.172 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.71 133.92 59.78 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.776 1.651 . . . . 0.0 111.197 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -140.15 -20.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 175.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.5 mt -69.68 -40.05 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.47 -49.44 77.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 171.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.32 -36.93 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 176.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.0 tp -61.0 -50.17 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 pt -76.43 -19.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.27 -43.69 69.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.69 -26.93 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -134.96 61.69 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.0 p -63.4 -25.02 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.212 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -87.37 75.64 9.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -70.21 -20.1 63.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -173.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -93.29 -3.29 53.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.267 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -120.01 5.13 10.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.208 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -55.37 145.02 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -49.79 129.96 20.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -54.34 -36.53 87.35 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.713 1.609 . . . . 0.0 111.211 -175.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.3 m -118.26 19.76 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.93 163.3 50.85 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -136.77 152.74 50.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.6 t -111.31 -40.06 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.6 mt -119.95 119.71 30.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -54.58 153.51 23.32 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.733 1.622 . . . . 0.0 111.212 -175.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.2 t -70.58 132.75 45.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.51 146.66 23.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.4 p -85.71 170.1 12.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.3 -40.04 67.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 172.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -68.44 -40.55 81.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.48 -46.38 90.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.21 -36.82 77.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.85 -41.28 83.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.5 mt -137.3 74.8 47.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.87 -22.28 27.18 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 121.677 1.584 . . . . 0.0 111.203 -177.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -80.36 -5.62 56.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 96.1 mmm -108.52 17.32 22.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.264 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -121.9 88.34 47.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 86.9 Cg_exo -52.54 -30.76 46.06 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.653 1.568 . . . . 0.0 111.216 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.0 m -49.92 -45.65 51.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.2 pt -94.66 -22.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 -175.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 95.4 mt -66.49 -21.45 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.2 p -105.54 17.62 23.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 175.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.424 ' OD1' ' HB2' ' A' ' 64' ' ' CYS . 62.2 t-20 -139.76 102.33 7.08 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.236 -179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -61.78 -20.44 69.14 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.698 1.599 . . . . 0.0 111.189 -174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.424 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 88.4 m -60.58 -24.56 65.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 -173.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -89.28 3.22 52.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 -175.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.72 139.92 50.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -176.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.37 153.11 31.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.236 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -111.67 101.64 10.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.204 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.36 125.53 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 173.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.7 p -102.12 -29.91 11.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.2 tttt 179.98 142.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -176.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -101.36 160.04 14.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -108.01 -54.67 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -173.23 179.92 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -176.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.6 t -129.0 126.65 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.0 t -149.48 143.26 25.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.198 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 59.72 31.22 20.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 64.8 21.54 12.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -178.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.66 147.41 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.5 t -104.88 123.86 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 -176.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -105.13 119.94 40.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.83 -174.48 4.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -125.96 141.07 52.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.3 177.3 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.411 ' CB ' ' HG2' ' A' ' 90' ' ' GLN . 13.1 ptm180 -160.0 170.44 21.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -130.03 -149.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 165.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.3 m -84.92 4.36 33.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -174.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.1 t -129.17 -67.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.263 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -119.1 159.53 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -166.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.411 ' HG2' ' CB ' ' A' ' 85' ' ' ARG . 53.1 mt-30 -113.04 150.03 32.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 174.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.3 tt -151.22 144.57 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 -174.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.4 148.95 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.194 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 p -137.23 140.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -119.59 124.12 45.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' HB3' ' SG ' ' A' ' 99' ' ' CYS . 85.5 m-85 -98.75 119.85 38.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.532 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.9 p -67.24 168.48 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -174.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -56.81 -42.05 78.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.29 -44.42 84.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 95' ' ' PHE . 50.2 t -58.14 -60.56 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.218 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.94 -30.39 49.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.229 -175.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.1 t -64.47 -53.55 46.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.39 -42.13 92.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.223 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -54.32 -43.59 71.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -69.99 -39.97 75.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.217 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.03 -36.62 82.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 176.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.9 m -74.47 -50.3 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -108.46 0.88 21.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -168.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.12 38.64 30.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.2 p -161.24 163.48 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.22 159.42 23.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.48 -23.15 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.1 p -85.31 1.15 49.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.0 p -77.1 -129.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.9 68.26 9.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.246 -171.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 54.3 p -127.12 -13.03 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -75.95 -10.29 59.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 -171.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -124.92 20.04 8.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.7 m -121.94 165.02 16.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -178.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 60.4 tp -92.8 122.9 35.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -108.42 148.52 30.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -167.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' A' ' 161' ' ' THR . 46.6 mm -110.05 133.25 56.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.35 139.48 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -142.26 155.63 25.7 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 40.7 t0 49.12 60.27 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 0.0 111.212 177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.12 150.33 49.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -140.05 154.47 47.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.7 tp -77.1 129.07 35.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.0 -170.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -139.88 159.08 42.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.0 p -124.98 136.88 59.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 173.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 65.4 p -89.98 157.62 17.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -53.53 -42.92 67.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.8 t -63.82 -50.51 68.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -55.78 -43.94 77.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 177.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.84 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.248 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 58.4 ttm -65.71 -40.88 92.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.151 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.4 t -81.33 -67.56 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.292 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.82 -57.9 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -80.5 -14.74 58.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -173.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 66.7 30.94 7.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 141' ' ' ILE . 18.7 tt -154.16 120.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 177.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.7 t -64.77 150.34 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.7 mt -84.13 -9.94 58.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.8 p -70.28 -10.33 58.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.27 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -92.01 -10.71 38.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.5 pt -129.91 -7.91 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.214 -175.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 91.1 p -149.97 160.72 43.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 92.3 p -98.11 1.78 47.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 172.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -116.56 172.95 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 175.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -95.8 7.57 45.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -172.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.6 pt -133.76 143.91 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.1 t -137.31 136.6 20.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -57.04 136.75 78.55 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.701 1.601 . . . . 0.0 111.217 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 53.5 t -139.38 146.92 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 55.2 tp -100.09 127.01 46.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 174.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -100.03 114.07 27.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.2 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 84.3 t -109.87 143.74 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.251 -173.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.25 -22.11 4.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -177.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -126.71 140.13 52.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 170.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -153.47 150.02 28.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.424 HG22 ' HB ' ' A' ' 121' ' ' ILE . 13.0 t -159.16 -179.44 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 172.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 93.6 mt -107.6 134.91 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -99.85 -54.09 3.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -159.29 174.47 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 -173.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 43.6 pt -97.8 31.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.15 127.29 30.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -61.1 138.79 58.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 22.6 m -110.17 168.11 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.244 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -82.21 179.23 53.29 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 97.1 p -89.69 164.69 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.212 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 64.4 tp -90.23 122.59 33.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.225 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 97.1 p -78.83 165.37 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.22 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 97.4 m -76.6 -28.05 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -124.37 113.49 27.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -51.78 126.53 20.1 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.775 1.65 . . . . 0.0 111.209 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -71.54 -23.69 61.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.89 -23.58 33.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -90.26 -50.4 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.285 174.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -53.95 -38.27 64.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.162 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -114.63 28.0 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 -177.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.198 -179.762 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.749 0.309 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.0 p -89.68 -15.68 32.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.24 134.48 56.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.209 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.7 m -69.79 -20.2 63.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.237 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.29 -49.97 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.239 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -94.26 5.82 50.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.93 119.93 19.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -81.9 158.0 68.26 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.233 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.89 161.65 44.78 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.679 1.586 . . . . 0.0 111.237 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.9 p90 -149.99 -26.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.235 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -51.13 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.226 -169.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.03 -44.56 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.04 75.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.234 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.06 -33.46 76.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 -173.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.5 -59.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 177.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.58 -37.47 87.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -170.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -64.12 -26.15 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -120.17 19.81 12.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -174.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 t -161.3 112.93 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -97.25 -169.8 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.265 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -54.81 120.35 6.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.27 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 56.97 35.21 26.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -117.43 146.83 43.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 173.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.79 146.02 27.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -66.08 130.74 94.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.7 168.43 0.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.693 1.595 . . . . 0.0 111.214 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.8 p -85.54 1.89 47.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.301 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.89 161.33 53.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -82.7 156.82 23.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 0.0 111.209 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG23 HG13 ' A' ' 42' ' ' ILE . 35.3 m -118.08 -18.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.224 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.409 HG13 HG23 ' A' ' 41' ' ' VAL . 95.3 mt -115.46 115.04 42.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.27 172.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -55.1 154.87 20.83 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.755 1.637 . . . . 0.0 111.198 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.5 p -73.18 160.05 32.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -124.05 167.59 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.0 p -118.93 168.25 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -49.41 -40.0 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.26 -32.35 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.21 -177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -75.37 -43.62 49.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.72 -27.84 62.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.97 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -131.82 73.35 78.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.29 -26.64 29.58 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.65 1.566 . . . . 0.0 111.22 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -80.3 -9.99 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.273 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 98.8 mmm -104.09 -0.2 28.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.0 t -120.97 109.18 35.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.259 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -53.88 -30.45 58.11 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.687 1.591 . . . . 0.0 111.204 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 m -50.12 -35.89 27.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.7 mt -100.01 -48.64 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.81 -41.38 70.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -169.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.9 p -104.97 14.41 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -170.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -128.31 102.36 21.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.5 -27.94 61.82 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.652 1.568 . . . . 0.0 111.226 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.9 m -59.98 -24.31 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -93.15 9.75 34.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.189 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.3 166.24 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 174.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.43 145.94 18.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 171.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -101.6 121.1 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.4 mt -81.78 134.98 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.2 p -111.58 -40.05 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -176.85 147.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 82' ' ' ALA . 58.2 m-85 -101.04 143.69 30.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 169.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -110.46 -50.11 2.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.256 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -134.4 153.04 52.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.198 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -146.53 121.54 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 61.4 m -130.18 175.29 9.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 174.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -76.24 -11.94 60.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -115.5 -33.39 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -175.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 99.0 mttt -146.24 139.8 26.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -175.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.416 ' HB ' ' HB2' ' A' ' 95' ' ' PHE . 96.5 t -126.67 139.41 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 174.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -121.82 118.04 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -174.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 72' ' ' PHE . . . -143.16 -177.28 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.14 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.4 t -126.63 139.9 52.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.9 pt -129.64 -176.71 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -158.84 169.32 24.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -117.03 -138.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 168.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 m -106.25 13.41 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.6 t -120.72 -54.36 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -162.95 -178.42 6.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -92.96 172.44 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.4 tt -165.65 139.21 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 170.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.48 148.24 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.89 137.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -174.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -120.51 126.31 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.714 ' HB3' ' HG ' ' A' ' 99' ' ' CYS . 83.8 m-85 -99.79 133.42 44.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 76.9 p -74.71 168.43 19.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.251 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -56.62 -40.05 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 171.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.1 -46.92 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.18 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.714 ' HG ' ' HB3' ' A' ' 95' ' ' PHE . 51.2 t -55.97 -50.94 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 176.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 68.4 t -55.19 -49.96 67.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.6 m -57.83 -48.42 79.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -57.7 -44.96 86.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -58.52 -51.93 67.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.205 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.28 -31.5 71.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.81 -29.94 69.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -103.38 -22.43 13.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.179 -171.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.63 ' HB3' ' SG ' ' A' ' 109' ' ' CYS . 76.8 m80 -109.56 -22.47 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 -176.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 48.94 48.27 20.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 107' ' ' HIS . 27.8 p -162.78 -176.42 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.87 144.34 37.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.5 tt -68.71 -14.7 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.3 p -97.25 -9.11 28.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.221 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.8 t -90.85 116.7 28.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -172.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 60.07 44.02 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.221 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 49.0 p -130.09 -14.73 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.2 p -70.51 -13.58 62.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 -168.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -129.06 20.09 5.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 82.3 m -110.01 138.43 46.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.6 tp -63.53 143.68 57.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 174.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 33.5 ttp -124.25 144.11 50.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.287 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.0 mt -113.74 126.2 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 70.9 mt -114.47 147.63 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -169.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -143.73 152.53 24.25 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 43.4 t0 50.37 76.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -141.3 147.79 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -129.93 168.4 16.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.218 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.7 mt -111.89 133.97 53.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.06 153.6 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -91.88 139.53 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.0 m -125.0 157.43 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 66.7 p -90.92 174.81 7.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -174.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -53.31 -53.61 48.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.5 p -55.04 -42.77 73.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 42.3 mmt180 -60.1 -49.58 77.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.63 75.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 98.8 mtp -72.35 -43.3 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.5 p -79.99 -21.59 43.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.212 -173.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -105.1 -42.7 5.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.267 -174.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 140' ' ' LYS . 97.0 m-85 -117.75 -10.3 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -171.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 139' ' ' PHE . 89.7 mttt 71.08 35.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 88.8 mt -129.02 111.75 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.1 t -69.75 132.34 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 169.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 80.3 mt -95.18 -36.58 11.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.3 p -72.78 -12.52 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.174 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -109.45 14.99 23.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 19.8 tt -143.16 -15.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.235 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.3 p -145.04 167.96 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 94.0 p -83.61 -18.68 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -107.23 151.69 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -102.67 10.91 38.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 47.6 pt -129.14 145.76 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.259 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.6 m -139.41 151.67 67.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.24 145.39 30.6 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.731 1.62 . . . . 0.0 111.216 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.17 135.05 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 45.0 tp -86.6 110.22 19.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -85.84 112.45 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 96.8 t -109.86 127.18 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -169.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -91.93 -50.42 5.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -111.29 136.54 50.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.191 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.69 138.69 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 88.4 m -133.25 129.83 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 91.5 mt -101.52 129.76 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 -174.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -117.44 151.17 37.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 -172.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -100.04 19.89 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 40.2 pt -81.1 -12.16 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -157.43 121.62 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.228 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -83.04 150.09 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.2 m -130.62 164.39 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -77.34 137.6 20.61 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 91.7 p -84.88 170.94 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.91 99.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 80.4 p -158.16 25.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -176.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 57.7 p -128.98 176.65 7.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 -175.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -75.82 149.81 83.39 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.227 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.98 137.02 75.23 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.699 1.599 . . . . 0.0 111.236 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -121.69 -48.11 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.86 -20.04 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -99.15 -23.07 15.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.06 -37.41 61.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -110.93 12.49 22.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.253 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.1 tp . . . . . 0 C--O 1.2 -1.545 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 179.903 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -79.36 -8.51 59.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 177.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -90.32 -0.21 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p -64.42 -18.64 64.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.1 m -65.72 -19.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -86.67 -9.26 56.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.252 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 5.3 mp -77.77 68.47 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 -177.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -105.81 158.05 33.28 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -53.96 128.61 30.42 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.747 1.631 . . . . 0.0 111.204 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -158.43 -37.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -55.03 -39.12 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.224 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -52.81 -51.44 60.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 173.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.18 90.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.52 -42.72 98.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.173 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.3 mt -65.56 -39.95 86.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.211 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.89 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.212 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.97 -34.33 77.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -102.95 29.9 5.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.9 p -64.71 -22.9 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -79.81 72.02 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -65.28 -21.22 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.49 -29.53 70.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -101.44 8.39 42.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.184 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -82.96 124.61 30.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -177.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -59.17 130.7 87.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -53.03 -38.99 80.93 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.772 1.648 . . . . 0.0 111.2 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.0 m -110.13 19.62 18.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.93 149.52 25.53 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -125.84 159.62 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 111.234 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.5 t -90.27 -39.71 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.4 pt -133.47 60.77 49.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -176.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -81.2 -3.78 12.28 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.708 1.605 . . . . 0.0 111.2 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -66.45 -24.37 66.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 mt -78.13 145.51 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.8 p -117.36 178.71 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.96 -36.82 77.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -67.92 -38.62 83.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.225 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -62.38 -46.61 87.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.08 -28.04 61.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.92 99.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 mt -131.07 78.99 72.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -60.55 -34.94 92.03 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.753 1.635 . . . . 0.0 111.173 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -74.9 -6.93 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.9 mmm -109.81 14.55 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 173.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 t -130.56 95.23 27.25 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.223 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.95 -32.05 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.683 1.588 . . . . 0.0 111.222 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -52.91 -37.4 60.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.0 mt -80.88 -50.09 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.244 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.6 -35.08 76.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.216 -166.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.9 p -94.58 -5.72 45.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.22 -169.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -120.04 123.82 28.17 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.457 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . 74.1 Cg_endo -79.29 -13.22 13.85 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.696 1.598 . . . . 0.0 111.196 -172.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.6 p -73.59 -6.58 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.215 -171.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -97.26 -9.5 27.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.226 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -99.86 143.83 29.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 -174.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.82 143.79 24.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.96 106.19 14.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.439 ' HA ' HG22 ' A' ' 84' ' ' ILE . 96.9 mt -66.06 134.43 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.224 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.5 p -107.93 -31.15 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 -177.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -169.93 140.11 2.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.01 145.39 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 166.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -105.88 -50.01 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 -175.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -168.64 164.38 12.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.82 121.6 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 174.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.64 ' HG ' ' HE2' ' A' ' 81' ' ' TYR . 31.1 p -160.88 164.25 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 56.64 31.68 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 62.25 24.37 14.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.223 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.84 147.47 52.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.35 132.57 57.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.64 ' HE2' ' HG ' ' A' ' 76' ' ' CYS . 66.1 m-85 -116.06 117.46 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -172.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.16 -178.55 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -173.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -132.63 145.72 51.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.439 HG22 ' HA ' ' A' ' 69' ' ' ILE . 2.3 pp -130.11 156.4 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 -176.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.489 ' NH2' ' HB2' ' A' ' 174' ' ' PHE . 99.0 mtt180 -117.8 159.08 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.276 169.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -138.38 -160.81 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 174.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.4 m -70.06 -19.94 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.226 -173.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.4 p -98.26 -79.56 0.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.195 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.73 -171.96 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.311 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.427 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 57.3 tt0 -97.88 141.76 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.209 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.5 pt -142.23 175.1 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 170.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.55 162.01 13.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.0 140.0 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -125.24 120.83 32.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -96.53 117.15 30.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.173 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 99' ' ' CYS . 83.5 p -70.37 167.3 18.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 -176.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -55.46 -39.89 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.68 -45.39 94.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.173 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 96' ' ' SER . 42.5 t -56.4 -51.56 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 178.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.06 -49.09 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -57.87 -49.09 77.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.195 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.01 -43.69 91.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -55.55 -41.75 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.68 -44.45 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.91 -34.91 73.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 98.5 m -78.7 -53.83 6.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.218 -176.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -105.98 1.47 26.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 -167.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 57.13 35.31 26.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 31.8 p -162.21 172.26 16.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -88.8 158.08 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.8 tp -62.59 -21.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.7 p -89.18 -2.21 58.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m -76.36 70.22 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 50.17 55.6 9.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.229 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 61.8 p -102.5 -1.39 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 174.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.6 m -57.1 -40.47 77.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -99.57 30.25 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 74.7 m -127.39 149.67 49.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 173.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.5 tp -76.02 120.16 20.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.186 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 65.4 ttp -99.43 135.27 41.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.19 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 83.7 mt -119.98 121.84 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.9 pt -111.81 160.05 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.179 -170.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.67 160.79 28.96 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.1 t70 54.85 40.16 31.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.195 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -101.63 149.14 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -124.1 161.42 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.205 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.5 tp -103.58 127.59 50.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 -174.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.05 -177.24 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -127.5 146.01 50.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 175.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.3 p -126.7 145.88 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 174.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.9 p -94.59 165.39 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -50.04 -57.45 7.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.5 m -59.34 -41.68 89.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.19 -174.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -69.08 -50.57 47.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.72 -31.03 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.14 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 67.3 ttp -54.41 -37.33 64.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.0 p -113.96 -13.75 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 -171.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -100.1 -50.64 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -93.56 -3.19 53.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.162 173.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 61.21 34.28 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.695 ' O ' HG23 ' A' ' 141' ' ' ILE . 8.7 tp -156.68 103.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 90.9 p -60.59 154.66 20.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.42 -32.48 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -171.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 88.3 p -74.57 -9.88 59.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 -176.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -105.9 3.03 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.4 pt -128.72 -12.92 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 52.1 p -146.2 179.91 7.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 92.1 p -91.16 -0.1 57.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -116.58 151.78 35.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.283 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -103.95 6.07 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.243 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -135.0 134.23 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.75 133.98 20.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.66 149.99 79.32 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.685 1.59 . . . . 0.0 111.209 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 84.7 t -131.54 139.91 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.33 116.07 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 170.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -95.37 107.63 19.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.206 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 82.0 t -101.77 138.82 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -166.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -110.91 -23.02 11.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.176 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -140.95 141.82 34.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 175.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -156.92 146.58 20.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 82.6 p -139.29 170.08 16.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.192 172.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 49.1 mm -101.36 136.01 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -91.87 -60.03 1.97 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.205 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -166.35 163.55 17.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.99 133.15 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -160.77 98.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -54.97 133.24 48.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -173.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 49.2 t -124.05 140.15 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.178 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -65.71 155.18 50.36 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 84.7 p -81.52 -179.96 7.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 111.169 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.46 121.6 12.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 85.0 p -156.7 177.46 11.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 88.1 m -58.46 120.07 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.236 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.489 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 21.1 t80 -163.76 132.05 2.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.251 -177.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -55.61 142.04 82.53 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.704 1.603 . . . . 0.0 111.222 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -103.95 154.84 19.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 173.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.98 -42.49 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.184 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -56.14 -34.86 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -176.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.9 -31.51 60.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -120.25 27.53 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.246 -178.397 . . . . . . . . 0 0 . 1 stop_ save_