data_2mpz_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 2mpz _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 ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.787 0.327 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.68 115.02 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' Y' ' 21' ' ' ALA . . . -142.85 130.35 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.8 143.56 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.47 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' X' ' 24' ' ' VAL . 97.0 t -128.14 126.41 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -172.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.13 2.81 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.38 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 111.2 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.0 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.226 166.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.85 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.39 38.67 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.79 14.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.213 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.61 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 172.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.81 119.58 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -174.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.53 3.84 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.46 HD21 HD13 ' Y' ' 34' ' ' LEU . 41.7 tp -131.33 119.87 22.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 111.256 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.57 36.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' X' ' 36' ' ' VAL . 99.3 t -132.37 127.13 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 -177.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.61 125.34 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.336 . . . . 0.0 111.169 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.199 -1.563 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 177.357 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.767 0.318 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.63 111.5 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.564 ' C ' HD21 ' B' ' 17' ' ' LEU . 6.5 tt -110.36 104.44 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -116.48 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.52 117.05 33.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.63 114.97 22.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.255 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' E' ' 21' ' ' ALA . . . -142.84 130.34 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.228 175.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.76 143.51 29.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.24 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.86 112.52 14.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.207 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.3 t -128.17 126.41 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.37 62.09 2.82 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.11 -177.32 5.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.19 -51.04 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 166.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.83 158.81 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 174.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.89 -164.35 38.66 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 172.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.71 162.84 14.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.206 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.16 114.51 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.79 119.68 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -174.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 117.56 3.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.7 tp -131.4 119.87 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.203 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.21 124.64 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.45 127.09 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.5 0.49 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.62 125.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 111.195 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 177.371 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.59 111.49 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.558 ' C ' HD21 ' C' ' 17' ' ' LEU . 6.5 tt -110.35 104.44 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -116.5 101.62 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.48 117.09 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.7 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' F' ' 21' ' ' ALA . . . -142.87 130.31 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 175.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.74 143.55 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.85 112.52 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' F' ' 24' ' ' VAL . 98.9 t -128.24 126.45 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 -172.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.4 62.09 2.81 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.37 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 111.152 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.06 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 166.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.8 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.37 38.65 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.66 162.78 14.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 111.199 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.17 114.55 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 172.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.79 119.59 58.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -174.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 172.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.458 HD13 HD21 ' F' ' 34' ' ' LEU . 41.5 tp -131.38 119.89 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.225 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.55 36.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' F' ' 36' ' ' VAL . 99.2 t -132.33 127.04 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.235 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.26 150.42 6.12 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.47 0.5 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.4 t -128.58 125.37 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.208 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 177.319 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.818 0.342 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.57 111.45 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.563 ' C ' HD21 ' D' ' 17' ' ' LEU . 6.5 tt -110.35 104.49 13.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.51 101.72 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.6 117.03 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.59 114.99 22.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' G' ' 21' ' ' ALA . . . -142.87 130.35 21.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.78 143.56 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.94 112.5 14.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.2 126.5 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -172.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.22 62.19 2.82 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.15 -177.38 5.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.07 -51.08 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.212 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.78 158.86 15.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.03 -164.37 38.54 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 172.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.8 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.13 114.55 46.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 172.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.78 119.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 117.6 3.86 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 172.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.462 HD13 HD21 ' G' ' 34' ' ' LEU . 41.5 tp -131.34 119.83 22.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.308 . . . . 0.0 111.222 -176.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.0 ttm -128.23 124.62 37.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.06 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.5 0.49 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.6 125.31 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.24 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 177.377 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.838 0.351 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.61 111.45 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.564 ' C ' HD21 ' E' ' 17' ' ' LEU . 6.5 tt -110.34 104.47 13.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.5 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.203 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.67 114.98 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -142.84 130.39 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.57 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.9 112.5 14.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.16 126.48 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -172.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.08 -177.35 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.202 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.09 -51.09 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 166.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.81 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.31 38.62 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.7 162.81 14.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.188 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.53 45.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 172.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.74 119.65 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -173.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.61 3.86 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.402 HD13 HD21 ' H' ' 34' ' ' LEU . 41.5 tp -131.39 119.86 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 -176.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.2 124.61 37.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.1 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.37 6.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.66 125.33 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 111.18 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.199 -1.587 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 177.349 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.63 111.43 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.558 HD21 ' C ' ' F' ' 17' ' ' LEU . 6.5 tt -110.31 104.42 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.221 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.44 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.54 117.11 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.7 114.96 22.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' C' ' 21' ' ' ALA . . . -142.84 130.38 21.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.81 143.59 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.96 112.5 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 97.8 t -128.17 126.43 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -172.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.13 2.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.39 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.203 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.06 -51.07 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 166.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.84 15.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.36 38.63 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 172.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.71 162.84 14.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.228 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.21 114.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.75 119.62 58.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -174.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 172.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.462 HD13 HD21 ' I' ' 34' ' ' LEU . 41.7 tp -131.36 119.83 22.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.211 -176.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.66 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.217 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' I' ' 36' ' ' VAL . 99.4 t -132.35 127.05 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.252 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.18 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.72 51.52 0.49 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 97.0 t -128.65 125.27 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.228 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 177.327 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.807 0.336 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.55 111.42 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.226 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.564 ' C ' HD21 ' G' ' 17' ' ' LEU . 6.5 tt -110.3 104.43 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 66.3 t -116.46 101.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.225 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.48 117.06 33.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.69 115.02 22.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' J' ' 21' ' ' ALA . . . -142.84 130.34 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.78 143.53 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.85 112.51 14.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.23 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 -172.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.08 2.83 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.07 -177.3 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 0.0 111.219 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.11 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 166.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.73 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.36 38.6 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.63 162.81 14.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.54 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.212 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.75 119.6 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.3 117.61 3.86 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 172.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.462 HD21 HD13 ' D' ' 34' ' ' LEU . 41.6 tp -131.33 119.88 22.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.775 0.322 . . . . 0.0 111.218 -176.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.61 37.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.41 127.1 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.23 150.39 6.11 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.62 51.47 0.5 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -128.59 125.33 63.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 111.166 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.199 -1.574 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 177.311 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.49 4.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.563 ' C ' HD21 ' H' ' 17' ' ' LEU . 6.5 tt -110.34 104.45 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.46 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.55 117.0 32.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.63 115.04 22.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' K' ' 21' ' ' ALA . . . -142.89 130.41 21.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 175.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.86 143.55 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.88 112.47 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.205 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 97.8 t -128.14 126.45 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.228 -172.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.27 62.19 2.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.16 -177.38 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.11 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 166.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.222 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.96 -164.34 38.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.82 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 111.235 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.18 114.57 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.22 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.72 119.58 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -173.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.59 3.86 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.403 HD13 HD21 ' K' ' 34' ' ' LEU . 41.7 tp -131.37 119.9 22.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 111.216 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.26 124.61 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.4 127.07 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.24 150.34 6.1 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.6 125.32 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.813 0.339 . . . . 0.0 111.258 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 177.382 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.79 0.328 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.61 111.45 4.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.562 ' C ' HD21 ' I' ' 17' ' ' LEU . 6.5 tt -110.32 104.44 13.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.5 101.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.57 117.01 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.65 114.98 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.168 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' F' ' 21' ' ' ALA . . . -142.81 130.34 21.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.57 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.9 112.53 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' F' ' 24' ' ' VAL . 97.8 t -128.23 126.46 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.29 62.16 2.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.16 -177.36 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.15 -50.99 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 166.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.84 15.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.36 38.62 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.325 . . . . 0.0 111.224 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.58 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.75 119.6 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.247 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.6 3.86 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.463 HD13 HD21 ' L' ' 34' ' ' LEU . 41.7 tp -131.36 119.89 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.229 -176.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.64 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' F' ' 36' ' ' VAL . 98.8 t -132.45 127.09 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.38 6.11 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.59 51.53 0.5 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -128.64 125.39 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 177.373 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.5 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.557 ' C ' HD21 ' J' ' 17' ' ' LEU . 6.5 tt -110.3 104.39 13.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.48 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.5 117.06 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -120.68 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' M' ' 21' ' ' ALA . . . -142.86 130.39 21.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 175.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -145.86 143.57 29.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.92 112.51 14.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 96.8 t -128.2 126.48 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 -172.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.28 62.14 2.82 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.4 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.181 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.03 -51.1 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 166.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.75 158.82 15.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.98 -164.33 38.57 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.78 14.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 111.204 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.18 114.54 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.209 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.73 119.57 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.209 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.22 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.459 HD21 HD13 ' G' ' 34' ' ' LEU . 41.5 tp -131.36 119.9 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.212 -176.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.63 37.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.41 127.05 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.25 150.34 6.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.53 0.49 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.6 125.35 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 111.205 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.229 177.328 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.821 0.343 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.64 111.47 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . 0.565 HD21 ' C ' ' K' ' 17' ' ' LEU . 6.5 tt -110.35 104.5 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.53 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.56 117.06 33.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -120.68 115.06 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' H' ' 21' ' ' ALA . . . -142.92 130.37 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.54 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.92 112.54 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.191 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -128.24 126.44 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.32 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.198 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.08 -51.11 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 166.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.222 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.95 -164.37 38.62 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 172.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.8 14.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 111.184 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.2 114.54 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.72 119.59 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 172.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.403 HD21 HD13 ' H' ' 34' ' ' LEU . 41.5 tp -131.39 119.91 22.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.352 . . . . 0.0 111.209 -176.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.6 37.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.224 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.4 127.04 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.24 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.41 0.49 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 96.8 t -128.55 125.33 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 111.243 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 177.361 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.35 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.48 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.215 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.564 ' C ' HD21 ' L' ' 17' ' ' LEU . 6.5 tt -110.31 104.46 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.5 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.54 117.04 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.68 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' I' ' 21' ' ' ALA . . . -142.87 130.38 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.86 143.54 29.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.48 14.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' I' ' 24' ' ' VAL . 95.7 t -128.17 126.4 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.219 -172.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.3 62.18 2.81 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.35 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 111.207 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.07 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 166.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.74 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.95 -164.39 38.62 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 172.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.86 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 111.195 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -117.23 114.55 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.71 119.57 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.53 3.84 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . 0.463 HD21 HD13 ' I' ' 34' ' ' LEU . 41.6 tp -131.3 119.9 22.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.216 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.62 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' I' ' 36' ' ' VAL . 99.1 t -132.4 127.07 56.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.68 51.48 0.49 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.6 125.3 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 177.372 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.54 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . 0.545 ' C ' HD21 ' M' ' 17' ' ' LEU . 6.5 tt -110.35 104.39 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.46 101.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.47 117.0 32.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.249 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.61 114.99 22.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -142.86 130.36 21.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 175.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.53 29.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.86 112.5 14.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.16 126.42 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -172.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.15 2.81 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.13 -177.41 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 111.249 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.05 -51.08 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.8 158.88 15.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.177 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.01 -164.29 38.52 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 172.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.74 162.81 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 111.2 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.19 114.52 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 172.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.76 119.65 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . 0.463 HD13 HD21 ' P' ' 34' ' ' LEU . 41.6 tp -131.4 119.85 22.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -176.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.22 124.66 37.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.44 127.06 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.32 6.08 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.73 51.46 0.49 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.59 125.33 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.19 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 177.322 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.832 0.348 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.66 111.47 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . 0.556 ' C ' HD21 ' N' ' 17' ' ' LEU . 6.5 tt -110.32 104.45 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.23 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.45 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.53 116.99 32.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.246 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -120.6 115.03 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' K' ' 21' ' ' ALA . . . -142.9 130.35 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 175.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.51 29.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.89 112.5 14.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.16 126.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.29 62.1 2.83 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.36 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 111.201 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.14 -51.12 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.73 158.87 15.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.0 -164.41 38.59 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.61 162.82 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 111.223 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.19 114.53 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.76 119.64 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.6 3.85 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 172.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.403 HD21 HD13 ' K' ' 34' ' ' LEU . 41.6 tp -131.39 119.9 22.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.195 -176.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.3 124.64 37.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.37 127.11 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.217 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.17 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.57 125.32 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 177.293 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.774 0.321 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.47 4.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . 0.558 ' C ' HD21 ' O' ' 17' ' ' LEU . 6.5 tt -110.33 104.48 13.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.5 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.51 117.05 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.63 115.0 22.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' L' ' 21' ' ' ALA . . . -142.87 130.36 21.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.79 143.49 29.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.83 112.55 14.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 97.8 t -128.21 126.44 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 -172.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.28 62.17 2.81 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -144.15 -177.32 5.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.153 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.12 -51.09 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 166.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.73 158.86 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 174.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.38 38.6 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.82 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 111.204 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.74 119.58 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -174.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.24 117.54 3.84 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . 0.461 HD21 HD13 ' L' ' 34' ' ' LEU . 41.5 tp -131.37 119.89 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.34 . . . . 0.0 111.201 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.22 124.64 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' L' ' 36' ' ' VAL . 99.1 t -132.37 127.08 56.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.235 -177.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.54 0.49 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.62 125.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 111.196 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 177.335 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.806 0.336 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.53 111.49 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.554 ' C ' HD21 ' P' ' 17' ' ' LEU . 6.5 tt -110.31 104.41 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.43 101.69 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 176.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.56 117.07 33.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.65 115.0 22.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' M' ' 21' ' ' ALA . . . -142.85 130.41 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.57 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.237 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.89 112.51 14.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 95.6 t -128.19 126.47 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.19 2.8 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.19 -177.39 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.173 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.09 -51.03 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 166.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.02 -164.34 38.54 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.78 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.17 114.55 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 172.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.77 119.57 58.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.262 -174.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.23 117.61 3.87 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.465 HD13 HD21 ' S' ' 34' ' ' LEU . 41.4 tp -131.37 119.88 22.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 111.197 -176.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.23 124.61 37.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.34 127.11 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.18 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.62 51.5 0.49 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.6 125.36 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.201 -1.498 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 177.339 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.65 111.51 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . 0.544 ' C ' HD21 ' Q' ' 17' ' ' LEU . 6.5 tt -110.31 104.47 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -116.5 101.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.47 117.05 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.66 115.02 22.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' N' ' 21' ' ' ALA . . . -142.87 130.38 21.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.214 175.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.55 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.88 112.51 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.19 126.47 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.25 62.12 2.83 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.08 -177.4 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.324 . . . . 0.0 111.23 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.04 -51.09 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 166.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.76 158.83 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.33 38.58 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.82 14.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 111.235 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.21 114.52 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.72 119.6 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -173.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.41 119.89 22.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.207 -176.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.28 124.64 37.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.38 127.06 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.73 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -174.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.63 125.35 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.195 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.232 177.356 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.787 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.57 111.47 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . 0.547 ' C ' HD21 ' R' ' 17' ' ' LEU . 6.5 tt -110.36 104.49 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.51 101.64 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.52 117.09 33.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.67 114.99 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' U' ' 21' ' ' ALA . . . -142.86 130.41 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 175.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.81 143.59 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.92 112.48 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.218 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' O' ' 24' ' ' VAL . 96.9 t -128.16 126.43 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -172.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.3 62.11 2.82 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.08 -177.33 5.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.181 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.17 -51.0 3.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.213 166.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.82 158.77 15.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.38 38.65 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 172.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.63 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.798 0.333 . . . . 0.0 111.178 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.18 114.52 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 172.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.7 119.62 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 172.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . 0.458 HD21 HD13 ' O' ' 34' ' ' LEU . 41.6 tp -131.35 119.82 22.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.232 -176.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.63 37.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.224 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' O' ' 36' ' ' VAL . 99.1 t -132.42 127.08 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.31 6.08 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.5 0.49 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.57 125.33 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 111.199 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 177.331 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.64 111.48 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.561 ' C ' HD21 ' S' ' 17' ' ' LEU . 6.5 tt -110.37 104.47 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -116.52 101.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.48 117.03 32.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.64 115.01 22.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.217 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' P' ' 21' ' ' ALA . . . -142.89 130.38 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 175.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.56 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.236 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.55 14.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.18 126.43 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -172.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.35 62.11 2.81 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.37 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.309 . . . . 0.0 111.219 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -104.13 -51.08 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 166.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.72 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.33 38.6 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.81 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.17 114.56 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 172.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.76 119.58 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -173.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.465 HD21 HD13 ' P' ' 34' ' ' LEU . 41.6 tp -131.35 119.83 22.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 0.0 111.214 -176.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.23 124.69 37.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.45 127.1 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.23 150.36 6.1 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.45 0.49 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -174.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -128.54 125.3 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.264 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 177.37 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.327 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.62 111.45 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 17' ' ' LEU . . . . . 0.545 ' C ' HD21 ' T' ' 17' ' ' LEU . 6.5 tt -110.34 104.46 13.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.47 101.61 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.48 117.08 33.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.208 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -120.67 114.95 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' Q' ' 21' ' ' ALA . . . -142.86 130.34 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -145.79 143.53 29.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.87 112.54 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.19 126.45 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.34 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.1 -177.36 5.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.328 . . . . 0.0 111.19 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.14 -51.04 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 166.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.84 15.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.93 -164.36 38.63 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.81 14.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 111.211 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 172.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.77 119.6 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.27 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 41.7 tp -131.35 119.85 22.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 111.236 -176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.17 124.62 37.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.4 127.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.193 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.58 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.66 125.29 63.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 177.341 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.57 111.48 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.246 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 17' ' ' LEU . . . . . 0.555 ' C ' HD21 ' U' ' 17' ' ' LEU . 6.5 tt -110.28 104.45 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.54 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.66 115.01 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 21' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' X' ' 21' ' ' ALA . . . -142.85 130.37 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 175.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.82 143.52 29.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.9 112.52 14.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 24' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' R' ' 24' ' ' VAL . 97.4 t -128.16 126.44 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -172.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.09 2.82 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.1 -177.37 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.205 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.05 -51.06 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 166.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.81 158.8 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.31 38.61 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 172.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.7 162.81 14.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.18 114.5 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.268 172.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.71 119.62 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.3 117.55 3.84 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 34' ' ' LEU . . . . . 0.452 HD21 HD13 ' R' ' 34' ' ' LEU . 41.7 tp -131.36 119.88 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 111.221 -176.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.58 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 36' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' R' ' 36' ' ' VAL . 99.3 t -132.38 127.11 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.3 6.08 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.6 125.34 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 111.199 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 177.355 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.333 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.61 111.43 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 17' ' ' LEU . . . . . 0.563 ' C ' HD21 ' V' ' 17' ' ' LEU . 6.5 tt -110.3 104.45 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.47 101.7 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.65 115.0 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 21' ' ' ALA . . . . . 0.462 ' O ' ' HA ' ' S' ' 21' ' ' ALA . . . -142.87 130.34 21.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 175.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.55 29.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.48 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.235 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.15 126.47 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -172.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.22 62.18 2.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.11 -177.37 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.212 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.03 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 166.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.86 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.98 -164.38 38.6 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.84 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.182 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.19 114.52 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.74 119.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 34' ' ' LEU . . . . . 0.465 HD21 HD13 ' S' ' 34' ' ' LEU . 41.7 tp -131.31 119.88 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 111.235 -176.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.66 37.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.12 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.16 150.3 6.08 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.69 51.51 0.49 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.61 125.31 63.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 111.208 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 177.36 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.67 111.53 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 17' ' ' LEU . . . . . 0.55 ' C ' HD21 ' W' ' 17' ' ' LEU . 6.5 tt -110.42 104.45 13.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.42 101.64 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.207 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.5 117.05 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.65 114.99 22.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 21' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' Z' ' 21' ' ' ALA . . . -142.88 130.38 21.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.56 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.87 112.44 14.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.15 126.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.11 2.82 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.41 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 111.21 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.06 -51.11 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 166.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.79 15.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 174.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.37 38.65 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 172.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.76 14.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.322 . . . . 0.0 111.209 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.12 114.54 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.73 119.61 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 -174.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.56 3.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 tp -131.34 119.84 22.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.765 0.317 . . . . 0.0 111.212 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.61 37.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.45 127.1 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.7 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.6 125.31 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.182 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 177.307 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.792 0.33 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.55 111.47 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.558 ' C ' HD21 ' X' ' 17' ' ' LEU . 6.5 tt -110.32 104.48 13.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.217 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.49 101.59 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.48 117.03 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.222 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.63 114.99 22.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' ALA . . . -142.85 130.41 21.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 175.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.87 143.53 29.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.9 112.53 14.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 24' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 97.6 t -128.23 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -172.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.18 2.8 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.15 -177.33 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.347 . . . . 0.0 111.185 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.16 -51.02 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.233 166.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.81 15.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.96 -164.37 38.61 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.82 14.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 111.181 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.2 114.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.74 119.56 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.24 117.55 3.85 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 172.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 34' ' ' LEU . . . . . 0.449 HD13 HD21 ' A' ' 34' ' ' LEU . 41.5 tp -131.34 119.94 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.202 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.31 124.6 36.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 36' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 99.5 t -132.34 127.09 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.49 0.49 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.62 125.33 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 111.198 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 177.352 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.6 111.51 4.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 17' ' ' LEU . . . . . 0.562 ' C ' HD21 ' Y' ' 17' ' ' LEU . 6.5 tt -110.34 104.49 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.51 101.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.51 117.07 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.71 114.96 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 21' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' V' ' 21' ' ' ALA . . . -142.82 130.4 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.54 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.5 14.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 173.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.2 126.44 66.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 -172.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.15 2.81 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.34 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.183 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.12 -51.11 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 166.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.76 158.84 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 174.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.02 -164.33 38.54 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.82 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 111.174 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 172.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.75 119.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -174.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.58 3.85 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 34' ' ' LEU . . . . . 0.463 HD21 HD13 ' V' ' 34' ' ' LEU . 41.8 tp -131.38 119.82 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 111.222 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.64 37.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.41 127.08 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.25 150.34 6.1 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.46 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.61 125.33 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.184 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 177.369 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.819 0.343 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.49 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 17' ' ' LEU . . . . . 0.559 ' C ' HD21 ' Z' ' 17' ' ' LEU . 6.5 tt -110.37 104.43 13.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.43 101.62 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.47 117.08 33.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.66 114.98 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' W' ' 21' ' ' ALA . . . -142.89 130.39 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 175.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.82 143.59 29.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.93 112.5 14.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 97.1 t -128.17 126.48 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.23 62.14 2.83 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.37 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.222 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.07 -51.1 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 166.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.74 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.194 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.37 38.63 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.77 14.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.195 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.12 114.6 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.8 119.64 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.62 3.86 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 41.4 tp -131.41 119.89 22.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 111.217 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.66 37.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 98.7 t -132.42 127.07 56.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.213 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.26 150.39 6.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.68 51.45 0.49 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.6 125.34 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 111.182 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 177.332 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.46 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.214 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -110.28 104.48 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.49 101.66 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.54 117.07 33.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.64 115.0 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.86 130.36 21.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.51 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.5 14.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.244 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.19 126.43 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.192 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.14 2.81 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.34 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.175 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.08 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 166.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.8 15.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.87 -164.36 38.69 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 172.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.72 162.82 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.19 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.56 46.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 172.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.76 119.62 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.59 3.85 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 172.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.4 119.88 22.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 111.154 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.63 37.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.4 127.05 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.53 125.33 63.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.317 . . . . 0.0 111.213 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 177.321 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.808 0.337 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.58 110.99 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.67 108.35 18.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.242 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.34 113.45 25.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -174.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.9 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.28 122.52 68.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.41 -22.31 38.06 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.644 ' O ' ' HA ' ' X' ' 26' ' ' SER . 30.7 t -56.65 144.93 30.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.338 . . . . 0.0 111.205 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.486 ' HA ' ' HA ' ' Y' ' 26' ' ' SER . 85.6 m-20 -102.08 -2.25 29.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 174.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.277 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' Y' ' 29' ' ' GLY . . . -92.55 -161.35 36.42 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -172.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.44 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.166 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.1 119.89 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.26 130.74 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' Y' ' 33' ' ' GLY . . . -143.01 123.37 2.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.64 HD12 HD23 ' X' ' 34' ' ' LEU . 59.4 mt -120.22 141.07 50.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 111.196 -175.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.48 11.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 175.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.88 111.63 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.17 -4.51 48.62 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.65 -128.68 10.48 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.39 -51.92 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.214 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.199 -1.566 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 -175.57 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.809 0.338 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.43 138.95 57.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.261 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.44 136.37 53.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.188 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.68 115.5 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.71 112.05 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.244 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.46 110.98 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.25 18.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.187 175.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.21 113.54 25.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -174.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.98 96.19 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.16 122.53 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.32 37.97 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 30.7 t -56.68 145.02 30.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.186 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.15 -2.18 29.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.42 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 -176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.57 -161.31 36.38 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -172.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.12 149.49 28.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 111.113 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.07 119.86 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 176.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.21 130.8 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.34 2.09 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 175.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.23 141.08 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.183 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.27 106.59 11.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.1 t -105.93 111.64 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.54 48.88 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.65 10.39 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.45 -51.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.199 -1.586 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.207 -175.606 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.11 57.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.548 HD23 ' HB2' ' F' ' 17' ' ' LEU . 59.7 mt -116.53 136.32 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.68 115.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.77 112.07 20.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.224 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 111.03 13.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.66 108.35 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.31 113.54 25.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.01 96.34 5.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.28 122.46 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.52 -22.38 37.65 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.649 ' HA ' ' O ' ' F' ' 26' ' ' SER . 30.6 t -56.67 145.02 30.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.237 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.15 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' F' ' 28' ' ' LYS . 93.7 mttt -115.67 176.4 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -176.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.59 -161.33 36.38 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -172.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.43 28.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 111.226 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.03 119.9 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.175 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.28 130.69 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.95 123.46 2.13 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.622 HD23 HD12 ' F' ' 34' ' ' LEU . 59.2 mt -120.28 141.11 50.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.49 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -105.86 111.63 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.48 48.72 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 -128.63 10.51 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.45 -51.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.21 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -175.55 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.57 139.08 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.545 HD23 ' HB2' ' G' ' 17' ' ' LEU . 59.5 mt -116.46 136.39 53.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.28 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -112.62 115.51 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.74 112.03 20.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.55 111.06 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.72 108.28 18.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.28 113.49 25.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.36 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 95.6 t -120.3 122.48 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.52 -22.4 37.62 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' G' ' 26' ' ' SER . 30.6 t -56.62 145.01 29.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.22 29.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.241 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.444 ' O ' ' HA3' ' G' ' 29' ' ' GLY . . . -92.63 -161.34 36.36 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -172.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.49 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.208 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.08 119.89 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.29 130.74 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.54 ' O ' ' HA2' ' G' ' 33' ' ' GLY . . . -143.02 123.45 2.12 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.24 141.07 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 0.0 111.224 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.34 106.53 11.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -105.92 111.61 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.16 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.47 48.63 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 -128.66 10.49 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.42 -51.97 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.199 -1.558 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 -175.604 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.729 0.299 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.45 139.1 57.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.51 136.35 53.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.247 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 88.9 t -112.68 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.78 112.04 20.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.51 111.0 13.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.262 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.32 18.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.28 113.51 25.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.95 96.26 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.27 122.5 68.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -175.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.32 37.97 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -56.63 144.92 30.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 111.223 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.1 -2.19 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.62 176.43 5.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.62 -161.31 36.35 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -172.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.4 28.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.822 0.344 . . . . 0.0 111.214 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -123.06 119.84 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.3 130.7 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.19 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.4 2.12 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 58.5 mt -120.24 141.11 50.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 111.265 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.37 106.5 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t -105.85 111.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.238 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.5 48.8 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.59 -128.68 10.54 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.4 -51.93 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.36 . . . . 0.0 111.203 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -175.597 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.753 0.311 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.11 57.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.244 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.552 HD23 ' HB2' ' I' ' 17' ' ' LEU . 59.4 mt -116.45 136.37 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.188 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -112.65 115.48 49.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.63 112.08 20.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.254 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.01 13.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.29 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.18 113.53 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.267 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.93 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.37 122.51 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.53 -22.38 37.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.649 ' O ' ' HA ' ' C' ' 26' ' ' SER . 30.6 t -56.6 144.96 29.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.11 -2.22 29.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' I' ' 28' ' ' LYS . 93.6 mttt -115.74 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.164 -176.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.6 -161.32 36.36 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -172.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.09 149.41 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.204 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.08 119.88 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.24 130.72 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.98 123.48 2.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.622 HD12 HD23 ' C' ' 34' ' ' LEU . 58.9 mt -120.24 141.04 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 111.259 -175.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.5 11.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -105.91 111.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.187 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.22 -4.47 48.41 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.68 10.47 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.46 -51.9 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 0.0 111.265 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -175.629 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.807 0.337 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.54 139.19 57.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' J' ' 17' ' ' LEU . 60.1 mt -116.56 136.34 53.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -112.64 115.53 50.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -116.66 112.07 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.176 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.58 111.09 13.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.21 18.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.12 113.49 25.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 -174.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.0 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.29 122.5 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.3 38.05 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 26' ' ' SER . . . . . 0.536 ' O ' ' HA ' ' D' ' 26' ' ' SER . 30.6 t -56.69 145.03 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 111.254 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.464 ' HA ' ' HA ' ' D' ' 26' ' ' SER . 85.6 m-20 -102.17 -2.2 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 174.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.68 176.43 5.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.446 ' O ' ' HA3' ' J' ' 29' ' ' GLY . . . -92.57 -161.3 36.37 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -172.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.41 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.12 119.91 59.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.22 130.72 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' D' ' 33' ' ' GLY . . . -142.94 123.36 2.1 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.17 141.14 50.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.764 0.316 . . . . 0.0 111.238 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.44 11.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.92 111.73 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.54 48.77 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.69 -128.65 10.43 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.44 -51.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.357 . . . . 0.0 111.172 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.773 0.321 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.09 57.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -116.5 136.3 53.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.161 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.67 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.68 112.12 20.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 110.97 13.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.26 18.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.228 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.14 113.47 25.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.236 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.99 96.38 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.34 122.49 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 -22.27 38.17 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 30.7 t -56.72 145.01 30.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 111.174 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.16 -2.18 29.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.37 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.53 -161.28 36.38 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -172.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.42 28.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.192 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.05 119.84 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.22 130.81 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.0 123.3 2.09 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.17 141.11 50.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.328 . . . . 0.0 111.221 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.44 11.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.28 175.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.81 111.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.05 -4.5 49.07 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.74 10.47 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.38 -51.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.743 0.306 . . . . 0.0 111.199 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -175.522 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.784 0.326 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.54 139.12 57.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.554 HD23 ' HB2' ' L' ' 17' ' ' LEU . 59.4 mt -116.51 136.34 53.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.66 115.48 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.218 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.62 112.06 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.269 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.49 111.01 13.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.21 18.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.48 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -174.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.87 96.34 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.41 122.53 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.4 -22.29 38.13 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 26' ' ' SER . . . . . 0.648 ' O ' ' HA ' ' F' ' 26' ' ' SER . 30.7 t -56.7 145.02 30.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 111.225 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.15 29.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.204 174.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' F' ' 28' ' ' LYS . 93.7 mttt -115.63 176.37 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 -176.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.54 -161.37 36.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -172.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.44 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 111.231 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.14 119.78 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.18 130.78 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -176.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' L' ' 33' ' ' GLY . . . -142.98 123.37 2.1 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.617 HD23 HD12 ' L' ' 34' ' ' LEU . 59.0 mt -120.2 141.13 50.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 111.21 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.46 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.219 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.89 111.62 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.42 48.56 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.52 -128.65 10.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.39 -52.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 -175.579 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.53 139.08 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' M' ' 17' ' ' LEU . 59.5 mt -116.54 136.37 53.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.71 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.75 112.15 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.149 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.54 111.02 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 174.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.33 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.21 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.54 25.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.99 96.26 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.3 122.55 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -175.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 -22.36 37.86 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.533 ' O ' ' HA ' ' G' ' 26' ' ' SER . 30.8 t -56.74 144.96 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 111.223 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.466 ' HA ' ' HA ' ' G' ' 26' ' ' SER . 85.5 m-20 -102.09 -2.1 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 174.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.69 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' G' ' 29' ' ' GLY . . . -92.63 -161.37 36.38 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -172.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.42 28.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 111.205 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.05 119.88 58.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 176.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.22 130.71 71.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' G' ' 33' ' ' GLY . . . -142.98 123.38 2.1 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.23 141.12 50.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 111.17 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.38 106.51 11.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.92 111.58 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.42 48.73 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 -128.67 10.54 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.36 -51.97 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 111.196 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.787 0.327 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.52 139.09 57.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.201 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.51 136.38 53.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 91.0 t -112.71 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.219 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.7 112.01 20.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.47 110.99 13.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.27 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.217 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.54 25.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.99 96.33 5.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.35 122.52 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.227 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.44 -22.31 38.01 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -56.67 145.05 30.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.347 . . . . 0.0 111.192 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.24 -2.08 29.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 174.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.43 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.37 36.42 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.04 149.47 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.186 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.14 119.89 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.26 130.77 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.93 123.29 2.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.21 141.12 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 -175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.49 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -105.87 111.6 35.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.255 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.43 48.73 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.64 -128.57 10.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.54 -51.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.199 -1.564 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -175.608 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.05 57.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' O' ' 17' ' ' LEU . 59.4 mt -116.5 136.39 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -112.64 115.48 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -116.62 112.05 20.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.57 111.1 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.173 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.23 18.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.48 25.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.97 96.3 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 96.0 t -120.24 122.42 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.237 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -22.31 37.96 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 26' ' ' SER . . . . . 0.647 ' O ' ' HA ' ' I' ' 26' ' ' SER . 30.7 t -56.66 144.94 30.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 111.176 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.07 -2.23 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' I' ' 28' ' ' LYS . 93.6 mttt -115.67 176.4 5.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -176.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.36 36.42 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.05 149.48 28.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 111.198 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.13 119.84 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.16 130.78 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -143.01 123.38 2.1 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . 0.622 HD23 HD12 ' O' ' 34' ' ' LEU . 59.1 mt -120.2 141.06 50.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 111.264 -175.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.22 106.38 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.239 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.82 111.69 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.284 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.06 -4.45 48.97 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.68 10.41 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.41 -51.9 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.195 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--O 1.199 -1.56 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 -175.532 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.66 139.11 57.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . 0.551 HD23 ' HB2' ' P' ' 17' ' ' LEU . 59.4 mt -116.45 136.38 53.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -112.67 115.51 50.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.247 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.7 112.08 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.5 111.03 13.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.22 18.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.95 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.27 122.45 68.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 -22.26 38.21 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 26' ' ' SER . . . . . 0.531 ' O ' ' HA ' ' J' ' 26' ' ' SER . 30.7 t -56.75 145.05 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' HA ' ' J' ' 26' ' ' SER . 85.5 m-20 -102.21 -2.17 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 174.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . 0.448 ' O ' ' HA3' ' P' ' 29' ' ' GLY . . . -92.69 -161.3 36.3 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -172.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.43 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -123.13 119.91 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.22 130.71 71.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.253 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . 0.537 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -142.97 123.36 2.1 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.18 141.08 50.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.42 11.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.245 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 87.9 t -105.9 111.61 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -176.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.2 -4.52 48.52 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.59 -128.65 10.52 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.41 -51.95 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -175.524 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.78 0.324 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.54 139.05 57.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 -175.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.48 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 89.7 t -112.71 115.45 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.69 112.09 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.48 110.95 13.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.276 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.33 18.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.25 113.49 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 -174.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.97 96.36 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.31 122.47 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.54 -22.43 37.46 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -56.64 144.97 30.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 111.228 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.11 -2.21 29.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.6 -161.29 36.35 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -172.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.09 149.46 28.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 111.192 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.17 119.83 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.15 130.84 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.07 123.34 2.09 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.19 141.12 50.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.0 111.167 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.43 11.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -105.91 111.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.01 -4.36 49.08 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.55 -128.65 10.55 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.38 -52.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.22 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.249 -175.639 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.48 139.09 57.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' R' ' 17' ' ' LEU . 59.5 mt -116.46 136.34 53.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 88.3 t -112.67 115.47 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.229 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.65 112.09 20.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.59 111.06 13.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 174.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.31 18.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.54 25.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.31 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.2 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.35 122.47 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.46 -22.28 38.09 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 26' ' ' SER . . . . . 0.647 ' O ' ' HA ' ' L' ' 26' ' ' SER . 30.6 t -56.64 145.0 29.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 111.174 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.18 -2.18 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' L' ' 28' ' ' LYS . 93.7 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -176.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.57 -161.33 36.39 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -172.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.5 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 111.205 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -123.18 119.79 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.14 130.75 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.208 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.4 2.11 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . 0.627 HD23 HD12 ' R' ' 34' ' ' LEU . 59.1 mt -120.16 141.14 50.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.243 -175.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.35 106.44 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.194 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -105.91 111.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.5 48.97 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.78 10.5 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.4 -51.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.225 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.819 0.343 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.47 139.12 57.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.255 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' S' ' 17' ' ' LEU . 59.5 mt -116.43 136.41 53.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.68 115.5 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.67 112.01 20.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.243 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 111.09 13.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.189 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.72 108.31 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.198 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.51 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.191 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.3 122.46 68.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.193 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 -22.46 37.34 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 26' ' ' SER . . . . . 0.528 ' O ' ' HA ' ' M' ' 26' ' ' SER . 30.6 t -56.54 145.04 29.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 111.191 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . 0.476 ' HA ' ' HA ' ' M' ' 26' ' ' SER . 85.6 m-20 -102.23 -2.22 29.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 174.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.65 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' M' ' 29' ' ' GLY . . . -92.65 -161.31 36.33 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -172.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.43 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 111.29 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.11 119.93 59.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.29 130.78 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -176.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' M' ' 33' ' ' GLY . . . -142.96 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.22 141.11 50.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.26 106.51 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.97 111.71 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.51 48.73 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.64 -128.67 10.49 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.39 -51.94 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -175.591 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.48 139.07 57.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 mt -116.47 136.46 52.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -112.74 115.52 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.73 112.09 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.48 111.07 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 174.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.22 18.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.205 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.19 113.5 25.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 -174.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.99 96.36 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.228 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 94.4 t -120.33 122.48 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.194 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.37 37.72 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 30.7 t -56.71 145.07 30.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 111.212 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.24 -2.13 29.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.63 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.61 -161.32 36.36 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.43 28.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.24 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.12 119.87 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 88.5 mt -127.21 130.79 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.97 123.35 2.1 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 59.1 mt -120.2 141.08 50.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.727 0.299 . . . . 0.0 111.274 -175.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.57 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 175.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -105.97 111.65 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 -176.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.52 48.71 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.68 10.44 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 97.6 t -121.44 -51.97 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.811 0.338 . . . . 0.0 111.14 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -175.623 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.772 0.32 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.43 139.04 57.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' U' ' 17' ' ' LEU . 59.6 mt -116.45 136.39 53.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -112.74 115.51 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.66 112.07 20.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.201 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 110.99 13.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.39 18.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.51 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.173 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.98 96.18 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 95.9 t -120.2 122.53 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.47 -22.31 37.99 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 26' ' ' SER . . . . . 0.646 ' O ' ' HA ' ' O' ' 26' ' ' SER . 30.9 t -56.79 144.99 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.187 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.11 -2.11 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' O' ' 28' ' ' LYS . 93.7 mttt -115.75 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 -176.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.35 36.4 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -172.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.07 149.41 28.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.223 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.11 119.88 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -127.23 130.66 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.273 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.32 2.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . 0.632 HD23 HD12 ' U' ' 34' ' ' LEU . 58.9 mt -120.22 141.07 50.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.216 -175.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.55 11.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.91 111.62 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.42 48.76 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 -128.74 10.55 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.37 -51.99 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.154 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 -175.565 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.46 139.1 57.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.25 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' V' ' 17' ' ' LEU . 59.5 mt -116.57 136.36 53.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.191 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -112.73 115.54 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.67 112.14 20.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.206 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.6 111.0 13.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.33 18.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.111 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.29 113.55 25.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -174.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.43 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.39 122.46 68.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.43 37.52 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 26' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' P' ' 26' ' ' SER . 30.7 t -56.68 145.03 30.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 111.16 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 27' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' P' ' 26' ' ' SER . 85.5 m-20 -102.12 -2.21 29.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.259 174.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.7 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 29' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' P' ' 29' ' ' GLY . . . -92.65 -161.36 36.36 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -172.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.96 149.5 28.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 111.236 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.19 119.82 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.202 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.18 130.78 71.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 33' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' P' ' 33' ' ' GLY . . . -142.96 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 175.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.2 141.08 50.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.738 0.304 . . . . 0.0 111.273 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.49 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 88.2 t -105.85 111.66 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.44 48.9 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.65 -128.62 10.44 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.51 -51.93 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.211 -175.579 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.779 0.323 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.55 139.03 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -116.42 136.38 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.242 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -112.63 115.57 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.73 112.09 20.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.02 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.24 18.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.15 113.45 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.29 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.92 96.37 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.35 122.4 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.46 -22.25 38.21 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -56.76 145.13 30.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 111.151 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.25 -2.16 29.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.206 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.66 176.36 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.49 -161.4 36.48 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -172.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.02 149.46 28.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.778 0.323 . . . . 0.0 111.222 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.13 119.87 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.2 130.74 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.98 123.45 2.12 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.29 141.12 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.197 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.28 106.48 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.256 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -105.92 111.64 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.17 -4.51 48.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.68 10.47 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.42 -51.95 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 111.144 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.257 -175.572 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.741 0.305 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.55 139.09 57.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 17' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' X' ' 17' ' ' LEU . 59.7 mt -116.49 136.38 53.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.72 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.7 112.1 20.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.54 110.95 13.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.66 108.29 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.259 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.53 25.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.94 96.3 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.34 122.57 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 -22.39 37.74 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 26' ' ' SER . . . . . 0.644 ' O ' ' HA ' ' R' ' 26' ' ' SER . 30.6 t -56.63 145.07 29.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 111.236 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.19 -2.18 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 174.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.65 176.42 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -176.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.29 36.37 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -172.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.42 28.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.321 . . . . 0.0 111.18 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -123.12 119.81 58.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.18 130.74 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.95 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 34' ' ' LEU . . . . . 0.636 HD23 HD12 ' X' ' 34' ' ' LEU . 59.2 mt -120.19 141.12 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.236 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.47 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -105.85 111.61 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -176.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.44 48.63 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.57 -128.65 10.54 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.42 -52.01 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.178 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -175.555 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.837 0.351 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.45 139.07 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.158 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 17' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' Y' ' 17' ' ' LEU . 59.5 mt -116.53 136.44 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.71 115.53 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.68 112.11 20.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.212 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.59 110.97 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.31 18.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.42 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.237 -174.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.92 96.25 4.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.245 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -120.38 122.46 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.55 -22.34 37.77 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 26' ' ' SER . . . . . 0.521 ' O ' ' HA ' ' S' ' 26' ' ' SER . 30.7 t -56.71 144.98 30.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 111.222 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' V' V ' 27' ' ' ASN . . . . . 0.482 ' HA ' ' HA ' ' S' ' 26' ' ' SER . 85.6 m-20 -102.09 -2.25 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 174.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.55 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.284 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 29' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' S' ' 29' ' ' GLY . . . -92.61 -161.29 36.34 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.11 149.4 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 111.275 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.03 119.85 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.26 130.79 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.205 -176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 33' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' S' ' 33' ' ' GLY . . . -143.03 123.33 2.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' V' V ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.17 141.18 50.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 -175.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.36 106.49 11.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -105.99 111.73 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.51 48.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.67 -128.6 10.41 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.49 -51.93 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 111.172 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 87.3 t . . . . . 0 C--O 1.199 -1.554 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 -175.593 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.54 139.11 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.48 136.37 53.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -112.71 115.57 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.69 112.04 20.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.24 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.5 111.15 14.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.8 108.27 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.22 113.54 25.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.98 96.34 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -120.34 122.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -175.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 -22.37 37.63 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 30.7 t -56.66 145.04 29.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.157 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.22 -2.17 29.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.66 176.35 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 -176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.49 -161.22 36.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -172.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.17 149.4 28.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 111.234 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.07 119.85 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.21 130.74 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -176.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.99 123.39 2.11 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 59.0 mt -120.22 141.03 50.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 0.0 111.231 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.25 106.47 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.23 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.88 111.66 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.56 48.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.63 10.39 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.51 -52.01 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 111.121 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.211 -175.588 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.839 0.352 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.06 57.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.558 ' HB2' HD23 ' U' ' 17' ' ' LEU . 59.6 mt -116.49 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.7 115.53 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.74 112.06 20.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.07 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.3 18.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.26 4.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.226 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -120.28 122.56 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.28 38.1 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 26' ' ' SER . . . . . 0.644 ' HA ' ' O ' ' A' ' 26' ' ' SER . 30.8 t -56.7 145.05 30.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.21 -2.15 29.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 174.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.58 176.47 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.69 -161.29 36.3 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -172.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.47 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.178 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.09 119.94 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.32 130.66 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 34' ' ' LEU . . . . . 0.64 HD23 HD12 ' A' ' 34' ' ' LEU . 59.0 mt -120.17 141.11 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 111.245 -175.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.43 11.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -105.89 111.68 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.07 -4.46 48.95 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.61 -128.66 10.5 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.37 -52.03 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.349 . . . . 0.0 111.243 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.199 -1.571 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.207 -175.602 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.815 0.34 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.48 139.1 57.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 17' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' V' ' 17' ' ' LEU . 59.8 mt -116.51 136.41 53.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.69 115.49 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.71 112.11 20.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 111.04 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.19 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.13 113.55 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -174.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.02 96.31 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.33 122.46 68.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.33 37.87 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 26' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 26' ' ' SER . 30.8 t -56.63 145.02 29.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.0 111.202 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 27' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' V' ' 26' ' ' SER . 85.6 m-20 -102.18 -2.16 29.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 174.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.7 176.45 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.18 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 29' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' V' ' 29' ' ' GLY . . . -92.57 -161.36 36.41 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -172.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.07 149.45 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 111.233 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.15 119.86 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.21 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.25 130.78 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 33' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' V' ' 33' ' ' GLY . . . -142.97 123.49 2.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 175.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 34' ' ' LEU . . . . . . . . . . . . . 59.5 mt -120.28 141.11 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.347 . . . . 0.0 111.204 -175.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.32 106.4 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 90.1 t -105.91 111.67 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -176.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.44 48.62 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.69 10.48 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.47 -51.94 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 111.166 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -175.633 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.06 57.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.173 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 59.4 mt -116.48 136.33 53.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.236 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -112.66 115.55 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.72 112.01 20.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 111.05 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.33 18.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.207 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.0 96.33 5.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -120.34 122.5 68.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.56 -22.45 37.39 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -56.59 144.96 29.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.231 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.18 -2.01 30.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.4 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.193 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.33 36.38 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -172.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.04 149.41 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 111.268 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.09 119.92 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.27 130.67 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.215 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.97 123.43 2.12 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.24 141.1 50.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.249 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.45 11.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.88 111.71 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.229 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.1 -4.49 48.86 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.65 10.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.46 -51.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 0.0 111.168 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -175.581 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.774 0.321 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.47 139.05 57.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 59.4 mt -116.42 136.38 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.71 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.69 112.12 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.6 111.05 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 174.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.65 108.23 18.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.224 175.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.25 113.54 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.235 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.199 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -120.39 122.43 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.59 -22.46 37.3 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -56.55 144.98 29.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.13 -2.25 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 174.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.59 176.38 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.27 36.35 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -172.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.37 28.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 111.242 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.1 119.86 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.238 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.22 130.74 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.24 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.33 2.09 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.19 141.1 50.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 111.224 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.27 106.51 11.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.88 111.69 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.04 -4.38 48.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.68 -128.7 10.47 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.46 -51.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 111.217 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -175.582 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.777 0.322 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -98.08 125.02 42.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB1' ' O ' ' X' ' 20' ' ' PHE . . . -134.81 117.69 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.68 130.95 23.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 174.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.96 117.26 25.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -120.91 120.15 61.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.05 27.75 73.55 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 172.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.518 ' O ' ' HA ' ' X' ' 26' ' ' SER . 40.0 t -96.07 151.14 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.202 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.62 -12.84 55.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.219 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.85 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.86 160.06 38.6 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.54 147.94 35.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.24 105.27 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.46 116.99 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -171.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 110.8 1.28 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' Y' ' 34' ' ' LEU . 10.4 tt -125.66 127.34 46.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.248 -176.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.54 130.14 47.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.914 HG11 HD22 ' Y' ' 17' ' ' LEU . 2.5 p -127.26 135.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.56 10.08 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.17 51.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' Y' ' 39' ' ' VAL . 90.6 t -114.33 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.732 0.301 . . . . 0.0 111.166 172.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 C--O 1.2 -1.536 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 179.663 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.32 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -173.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.419 HD22 HG11 ' E' ' 36' ' ' VAL . 5.3 mp -123.88 135.61 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.12 125.34 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.26 116.56 20.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.04 125.0 42.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.86 117.77 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.72 130.91 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.24 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.19 25.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.24 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.82 120.15 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.211 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.12 27.75 73.55 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -96.1 151.19 19.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.191 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.61 -12.88 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.21 150.85 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 160.0 38.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.55 148.03 35.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.826 0.346 . . . . 0.0 111.193 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.31 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 -171.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.97 110.79 1.26 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.416 ' C ' HD21 ' B' ' 34' ' ' LEU . 10.4 tt -125.62 127.36 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.184 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.6 130.08 46.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.2 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.2 135.34 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.6 10.1 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.23 51.81 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -175.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.22 -56.88 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 111.231 172.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.713 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.784 0.326 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.75 142.28 35.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.564 HD22 HG11 ' F' ' 36' ' ' VAL . 5.3 mp -123.81 135.62 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.236 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.16 125.31 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.61 20.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.722 ' O ' ' HB1' ' F' ' 21' ' ' ALA . 54.0 t80 -98.04 124.96 42.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.8 117.77 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.74 130.92 23.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.23 25.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.8 120.16 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.09 27.75 73.55 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' F' ' 26' ' ' SER . 39.9 t -96.09 151.19 19.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 111.202 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.64 -12.92 55.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.178 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.11 150.83 41.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 159.99 38.6 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.95 35.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 111.149 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.31 105.28 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 176.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.44 117.1 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.91 110.76 1.26 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.405 ' C ' HD21 ' C' ' 34' ' ' LEU . 10.4 tt -125.63 127.44 46.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.165 -176.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.17 46.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.482 HG21 HG13 ' F' ' 36' ' ' VAL . 2.5 p -127.22 135.38 63.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.63 15.55 10.16 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.17 51.83 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.28 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.211 172.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.275 179.648 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.34 35.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.935 HD22 HG11 ' G' ' 36' ' ' VAL . 5.3 mp -123.89 135.53 53.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.06 125.38 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.3 116.54 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -98.02 124.92 42.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.74 117.72 16.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.73 130.88 23.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.209 174.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.94 117.33 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.93 120.11 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.79 73.57 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 172.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -96.03 151.15 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 111.199 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.65 -12.86 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.18 150.71 41.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.66 159.99 38.92 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.5 147.93 35.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.196 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.26 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.25 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.42 117.06 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.76 1.26 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' G' ' 34' ' ' LEU . 10.4 tt -125.64 127.44 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.192 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.25 135.36 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.69 15.61 10.06 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.2 51.75 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -175.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' G' ' 39' ' ' VAL . 90.7 t -114.32 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 111.161 172.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.284 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.84 0.353 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.7 142.36 35.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.417 HD22 HG11 ' H' ' 36' ' ' VAL . 5.3 mp -123.9 135.67 53.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.17 125.32 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.51 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.01 124.93 42.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.75 117.73 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.75 130.94 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.3 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.205 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -120.96 120.14 61.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.7 73.54 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 172.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.03 151.19 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.76 -12.79 55.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.144 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.19 150.7 41.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.233 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.62 159.91 38.91 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.48 147.97 35.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.178 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.2 105.19 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.238 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -116.36 117.02 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.246 -171.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.88 110.76 1.27 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.415 ' C ' HD21 ' E' ' 34' ' ' LEU . 10.4 tt -125.61 127.42 46.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 111.191 -176.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.13 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.419 HG11 HD22 ' B' ' 17' ' ' LEU . 2.5 p -127.29 135.35 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 15.51 10.14 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.92 -156.22 51.95 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.26 -56.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.189 172.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.834 0.349 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.86 142.3 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.566 HD22 HG11 ' I' ' 36' ' ' VAL . 5.3 mp -123.78 135.63 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -126.12 125.34 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.229 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.27 116.5 19.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.72 ' O ' ' HB1' ' I' ' 21' ' ' ALA . 53.7 t80 -98.05 125.04 42.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . 0.722 ' HB1' ' O ' ' C' ' 20' ' ' PHE . . . -134.8 117.82 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.94 23.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 174.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.97 117.25 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -120.83 120.07 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.205 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.25 27.62 73.53 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.522 ' O ' ' HA ' ' C' ' 26' ' ' SER . 39.9 t -95.98 151.18 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.714 0.292 . . . . 0.0 111.236 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.66 -12.89 55.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.78 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.76 160.03 38.76 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.55 148.01 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 111.159 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.33 105.17 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.44 117.12 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 -171.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.69 1.26 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.405 ' C ' HD21 ' F' ' 34' ' ' LEU . 10.4 tt -125.56 127.33 46.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 111.285 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.51 130.03 46.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.248 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.564 HG11 HD22 ' C' ' 17' ' ' LEU . 2.5 p -127.16 135.33 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.77 15.45 10.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.88 -156.14 51.89 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -114.31 -57.01 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 0.0 111.121 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.247 179.688 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.813 0.339 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.35 35.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -173.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.93 HD22 HG11 ' J' ' 36' ' ' VAL . 5.3 mp -123.85 135.64 53.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -126.2 125.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.21 116.57 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -98.11 124.96 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.78 117.73 16.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.69 130.94 23.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.233 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -122.0 117.3 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.82 120.06 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.17 27.67 73.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -95.98 151.12 19.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 111.277 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.62 -12.88 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.241 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.78 41.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.71 159.92 38.75 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 148.0 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 111.24 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 42.3 mm -101.28 105.27 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.44 117.1 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.98 110.78 1.26 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' J' ' 34' ' ' LEU . 10.4 tt -125.68 127.4 46.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 111.186 -176.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.13 46.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.935 HG11 HD22 ' D' ' 17' ' ' LEU . 2.5 p -127.33 135.32 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.55 10.07 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.93 -156.2 51.97 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' D' ' 39' ' ' VAL . 90.1 t -114.31 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 172.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 179.701 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.854 0.359 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.34 35.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -173.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.414 HD22 HG11 ' K' ' 36' ' ' VAL . 5.3 mp -123.91 135.65 53.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.14 125.36 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 174.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.28 116.53 19.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.08 125.05 42.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.77 117.84 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.98 117.24 25.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.205 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.82 120.14 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.18 27.73 73.55 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 172.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.06 151.21 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.0 111.186 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.69 -12.83 55.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.14 150.8 41.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.81 159.98 38.6 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 147.96 35.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 0.0 111.2 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.29 105.31 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.46 117.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.81 1.27 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.413 ' C ' HD21 ' H' ' 34' ' ' LEU . 10.4 tt -125.67 127.42 46.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 111.191 -176.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.62 130.13 46.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 176.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.417 HG11 HD22 ' E' ' 17' ' ' LEU . 2.5 p -127.29 135.31 63.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.59 10.07 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.2 51.72 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.31 -56.81 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 111.201 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.698 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.783 0.325 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.68 142.29 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 -173.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.568 HD22 HG11 ' L' ' 36' ' ' VAL . 5.3 mp -123.86 135.64 53.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.204 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -126.12 125.31 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 174.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.28 116.49 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -176.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . 0.717 ' O ' ' HB1' ' L' ' 21' ' ' ALA . 53.4 t80 -98.05 124.99 42.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . 0.72 ' HB1' ' O ' ' F' ' 20' ' ' PHE . . . -134.7 117.73 16.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.223 174.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.29 26.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.92 120.19 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 172.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 26' ' ' SER . . . . . 0.519 ' O ' ' HA ' ' F' ' 26' ' ' SER . 40.0 t -96.04 151.12 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.197 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.65 -12.89 55.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.11 150.76 41.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.74 159.96 38.74 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.43 147.97 35.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 111.217 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.35 105.27 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -116.45 117.16 54.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -171.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.95 110.78 1.26 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.408 HD21 ' C ' ' I' ' 34' ' ' LEU . 10.4 tt -125.66 127.35 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -176.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.56 130.14 46.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.183 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.566 HG11 HD22 ' F' ' 17' ' ' LEU . 2.5 p -127.27 135.32 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 15.68 10.02 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.77 -156.25 51.59 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -175.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.23 -56.87 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 111.194 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 179.69 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.742 0.306 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.67 142.34 35.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.923 HD22 HG11 ' M' ' 36' ' ' VAL . 5.3 mp -123.87 135.58 53.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.298 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -126.08 125.36 67.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.34 116.56 19.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.08 124.96 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.222 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.79 117.81 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.83 130.94 23.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.92 117.18 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.243 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -120.85 120.09 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.18 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -95.98 151.2 19.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.777 0.322 . . . . 0.0 111.235 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.68 -12.86 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.216 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.84 41.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.96 38.51 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.51 148.0 35.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.222 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.29 105.25 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -116.46 117.07 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 110.85 1.28 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.444 ' HA ' ' O ' ' M' ' 34' ' ' LEU . 10.4 tt -125.74 127.38 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 111.107 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.57 130.2 47.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.93 HG11 HD22 ' G' ' 17' ' ' LEU . 2.5 p -127.28 135.35 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.73 15.55 10.08 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.19 51.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.26 -56.94 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.16 172.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.735 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 120.861 0.362 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.73 142.25 35.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -173.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . 0.41 HD22 HG11 ' N' ' 36' ' ' VAL . 5.3 mp -123.84 135.62 53.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -126.13 125.31 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.49 19.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -98.08 124.88 42.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.68 117.8 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.77 130.87 23.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.199 174.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.92 117.2 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -120.81 120.16 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 27.68 73.54 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 172.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.04 151.21 19.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 111.214 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.7 -12.85 55.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.14 150.81 41.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.72 159.95 38.76 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 148.01 35.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 111.209 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.28 105.23 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.09 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.73 1.26 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.412 ' C ' HD21 ' K' ' 34' ' ' LEU . 10.4 tt -125.61 127.38 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 111.239 -176.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . 0.414 HG11 HD22 ' H' ' 17' ' ' LEU . 2.5 p -127.24 135.33 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.51 10.13 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.91 -156.17 51.95 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -175.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 90.0 t -114.32 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 111.246 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.81 142.25 35.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.567 HD22 HG11 ' O' ' 36' ' ' VAL . 5.3 mp -123.84 135.61 53.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.13 125.33 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.28 116.52 19.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . 0.717 ' O ' ' HB1' ' O' ' 21' ' ' ALA . 53.6 t80 -98.02 124.95 42.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . 0.717 ' HB1' ' O ' ' I' ' 20' ' ' PHE . . . -134.78 117.81 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.76 130.89 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.206 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.27 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -120.82 120.13 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.262 -175.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.21 27.63 73.53 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 26' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' O' ' 26' ' ' SER . 39.9 t -96.03 151.12 19.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 0.0 111.246 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.67 -12.79 55.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.89 41.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.88 159.99 38.47 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 147.98 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 111.207 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.37 116.97 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 110.82 1.28 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . 0.409 ' C ' HD21 ' L' ' 34' ' ' LEU . 10.4 tt -125.68 127.37 46.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.348 . . . . 0.0 111.192 -176.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.6 130.15 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . 0.568 HG11 HD22 ' I' ' 17' ' ' LEU . 2.5 p -127.2 135.35 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 15.57 10.11 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 -156.19 51.85 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.25 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 111.229 172.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.676 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 120.845 0.355 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.3 35.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . 0.915 HD22 HG11 ' P' ' 36' ' ' VAL . 5.3 mp -123.82 135.6 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -126.21 125.26 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.25 116.51 19.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.01 124.91 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 117.78 16.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.78 130.85 23.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 174.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.87 117.33 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 97.7 t -120.88 120.13 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.66 73.53 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 172.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -95.95 151.17 19.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.212 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.69 -12.89 55.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.1 150.89 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.98 38.54 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.98 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 111.27 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.27 105.28 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.49 117.15 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.91 110.76 1.26 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' J' ' 34' ' ' LEU . 10.4 tt -125.71 127.42 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.212 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . 0.923 HG11 HD22 ' J' ' 17' ' ' LEU . 2.5 p -127.26 135.39 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.62 15.66 10.07 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.8 -156.22 51.69 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.25 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.229 172.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.637 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.817 0.341 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.34 35.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . 0.404 HD22 HG11 ' Q' ' 36' ' ' VAL . 5.3 mp -123.82 135.62 53.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.18 125.25 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.25 116.54 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -176.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.03 124.88 42.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.69 117.81 16.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.91 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.97 117.29 26.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.85 120.12 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.229 -174.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.78 73.56 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.1 151.21 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.16 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.66 -12.87 55.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.79 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 160.02 38.73 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.54 148.02 35.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.197 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.22 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.37 117.11 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 -171.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.82 1.27 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.413 HD21 ' C ' ' N' ' 34' ' ' LEU . 10.4 tt -125.7 127.3 46.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 111.193 -176.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.48 130.14 47.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . 0.41 HG11 HD22 ' K' ' 17' ' ' LEU . 2.5 p -127.28 135.3 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.205 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.64 10.02 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.22 51.74 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.3 -56.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 179.676 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.887 0.375 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 142.27 35.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.266 -173.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . 0.566 HD22 HG11 ' R' ' 36' ' ' VAL . 5.3 mp -123.78 135.65 53.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.16 125.31 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.211 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.29 116.63 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . 0.718 ' O ' ' HB1' ' R' ' 21' ' ' ALA . 53.5 t80 -98.13 124.97 42.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . 0.717 ' HB1' ' O ' ' L' ' 20' ' ' PHE . . . -134.74 117.79 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.79 130.89 23.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.256 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.26 26.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.85 120.11 61.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.12 27.77 73.56 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 172.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 26' ' ' SER . . . . . 0.519 ' O ' ' HA ' ' L' ' 26' ' ' SER . 39.7 t -96.14 151.25 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.191 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.7 -12.88 55.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.82 41.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 159.93 38.65 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.41 148.0 35.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.228 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.33 105.23 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.07 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -171.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 110.76 1.27 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . 0.409 ' C ' HD21 ' O' ' 34' ' ' LEU . 10.4 tt -125.68 127.4 46.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 111.241 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.05 46.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . 0.567 HG11 HD22 ' L' ' 17' ' ' LEU . 2.5 p -127.2 135.41 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.178 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.63 15.62 10.1 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.79 -156.25 51.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.24 -56.95 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.186 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.251 179.651 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.74 142.31 35.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.285 -173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.906 HD22 HG11 ' S' ' 36' ' ' VAL . 5.3 mp -123.86 135.58 53.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.1 125.28 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 174.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.26 116.56 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.07 124.95 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.69 117.74 16.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.26 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.79 130.85 23.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.19 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.86 117.27 26.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.244 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.89 120.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -96.01 151.15 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.59 -12.86 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.18 150.85 41.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.78 159.94 38.64 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.44 147.96 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.3 105.28 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.48 117.01 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.186 -171.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 110.82 1.28 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' S' ' 34' ' ' LEU . 10.4 tt -125.68 127.41 46.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.17 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.11 46.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . 0.915 HG11 HD22 ' M' ' 17' ' ' LEU . 2.5 p -127.24 135.45 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.61 15.53 10.19 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.95 -156.22 51.99 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' S' ' 39' ' ' VAL . 90.4 t -114.28 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.192 172.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 179.665 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.34 35.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.79 135.6 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.07 125.21 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.22 116.57 20.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.205 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.09 124.93 42.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.67 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.27 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.72 130.88 23.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.23 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.88 120.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.05 27.81 73.57 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.11 151.2 19.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.871 0.367 . . . . 0.0 111.137 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.72 -12.8 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.275 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.85 41.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.184 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.91 159.99 38.43 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 148.01 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.758 0.313 . . . . 0.0 111.212 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.43 117.05 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.182 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 110.76 1.27 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . 0.414 HD21 ' C ' ' Q' ' 34' ' ' LEU . 10.4 tt -125.65 127.4 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.735 0.303 . . . . 0.0 111.184 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.66 130.09 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . 0.404 HG11 HD22 ' N' ' 17' ' ' LEU . 2.5 p -127.17 135.33 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.74 15.6 10.04 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.18 51.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.29 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 111.208 172.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.72 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.794 0.331 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.67 142.31 35.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . 0.566 HD22 HG11 ' U' ' 36' ' ' VAL . 5.3 mp -123.84 135.63 53.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.12 125.29 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.56 20.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . 0.718 ' O ' ' HB1' ' U' ' 21' ' ' ALA . 54.0 t80 -98.08 124.88 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . 0.718 ' HB1' ' O ' ' O' ' 20' ' ' PHE . . . -134.68 117.82 16.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.92 117.27 26.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.92 120.18 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.08 27.74 73.55 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 172.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 26' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' O' ' 26' ' ' SER . 39.6 t -96.12 151.23 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.72 -12.81 55.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.21 150.8 41.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.74 159.99 38.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.97 35.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.825 0.345 . . . . 0.0 111.235 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.32 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.42 117.14 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.93 110.74 1.26 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . 0.414 HD21 ' C ' ' R' ' 34' ' ' LEU . 10.4 tt -125.66 127.35 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 111.163 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.17 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . 0.566 HG11 HD22 ' O' ' 17' ' ' LEU . 2.5 p -127.24 135.25 64.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.58 10.04 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 -156.24 51.82 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -175.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.21 -56.86 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.265 172.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.198 -1.621 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.719 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.813 0.339 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.75 142.38 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.898 HD22 HG11 ' V' ' 36' ' ' VAL . 5.3 mp -123.87 135.6 53.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.08 125.33 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.35 116.56 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 -176.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.01 125.0 42.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.82 117.79 16.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.75 130.88 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.226 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.94 117.26 26.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.215 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 97.9 t -120.85 120.17 61.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 172.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.09 151.23 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.17 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.69 -12.84 55.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.16 150.8 41.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.208 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.99 38.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.51 148.06 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.36 105.22 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.42 117.05 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.86 110.78 1.27 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' V' ' 34' ' ' LEU . 10.4 tt -125.63 127.41 46.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.193 -176.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.09 46.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 36' ' ' VAL . . . . . 0.906 HG11 HD22 ' P' ' 17' ' ' LEU . 2.5 p -127.2 135.41 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.61 15.56 10.17 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.21 51.73 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' V' ' 39' ' ' VAL . 89.6 t -114.24 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.166 172.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.721 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.74 142.36 35.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 17' ' ' LEU . . . . . 0.405 HD22 HG11 ' W' ' 36' ' ' VAL . 5.3 mp -123.9 135.63 53.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.15 125.35 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.3 116.52 19.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -98.06 124.89 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.86 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.199 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.94 117.35 26.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 99.3 t -120.91 120.16 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.74 73.55 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 172.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.07 151.19 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.177 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.72 -12.8 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.16 150.84 41.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.75 159.95 38.69 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.45 148.01 35.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.244 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.19 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.207 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.36 117.02 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -171.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.85 110.78 1.27 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 34' ' ' LEU . . . . . 0.414 ' C ' HD21 ' T' ' 34' ' ' LEU . 10.4 tt -125.62 127.45 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.254 -176.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.61 130.06 46.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.18 135.34 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.68 15.61 10.07 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.17 51.78 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.23 -56.97 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 111.275 172.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.258 179.626 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.771 0.319 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.35 35.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.201 -173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 17' ' ' LEU . . . . . 0.565 HD22 HG11 ' X' ' 36' ' ' VAL . 5.3 mp -123.83 135.56 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -126.13 125.4 67.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.184 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.32 116.6 20.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 20' ' ' PHE . . . . . 0.715 ' O ' ' HB1' ' X' ' 21' ' ' ALA . 53.5 t80 -98.07 124.95 42.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.205 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 21' ' ' ALA . . . . . 0.718 ' HB1' ' O ' ' R' ' 20' ' ' PHE . . . -134.74 117.79 16.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.8 130.91 23.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.97 117.24 25.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -120.87 120.18 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.7 73.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 26' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' X' ' 26' ' ' SER . 39.8 t -96.09 151.19 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 0.0 111.192 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.74 -12.76 55.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.16 150.83 41.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.88 159.99 38.49 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.48 147.96 35.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 111.213 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.34 105.33 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.05 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -171.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.75 1.26 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 34' ' ' LEU . . . . . 0.415 ' C ' HD21 ' U' ' 34' ' ' LEU . 10.4 tt -125.7 127.37 46.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.24 -176.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.11 46.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 36' ' ' VAL . . . . . 0.566 HG11 HD22 ' R' ' 17' ' ' LEU . 2.5 p -127.27 135.31 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 178.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.46 10.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.84 -156.21 51.77 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.19 -56.9 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 172.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.738 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.75 0.31 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 142.29 35.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 17' ' ' LEU . . . . . 0.905 HD22 HG11 ' Y' ' 36' ' ' VAL . 5.3 mp -123.83 135.63 53.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.15 125.39 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 174.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.29 116.52 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.233 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.06 124.94 42.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.72 117.78 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.94 23.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.96 117.33 26.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.92 120.17 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -174.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 172.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.01 151.16 19.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.75 -12.74 55.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.196 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.82 41.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.79 159.98 38.65 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.56 147.96 35.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 111.203 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.23 105.27 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.242 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.44 117.07 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 -171.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.72 1.26 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 34' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' S' ' 34' ' ' LEU . 10.4 tt -125.64 127.45 46.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 111.239 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.62 130.1 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 36' ' ' VAL . . . . . 0.898 HG11 HD22 ' S' ' 17' ' ' LEU . 2.5 p -127.19 135.3 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.73 15.59 10.05 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.85 -156.16 51.84 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 39' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' Y' ' 39' ' ' VAL . 89.2 t -114.3 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 111.195 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.191 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.773 0.321 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.76 142.34 35.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 17' ' ' LEU . . . . . 0.411 HD22 HG11 ' Z' ' 36' ' ' VAL . 5.3 mp -123.88 135.52 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -126.06 125.24 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.216 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.26 116.55 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 -176.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -98.05 124.88 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 117.8 16.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.78 130.87 23.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.89 117.23 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.85 120.17 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.11 27.74 73.55 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 172.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.11 151.24 19.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.71 -12.86 55.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.2 150.75 41.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.76 159.99 38.72 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.98 35.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.28 105.24 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.43 117.1 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -171.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.79 1.27 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 34' ' ' LEU . . . . . 0.413 ' C ' HD21 ' W' ' 34' ' ' LEU . 10.4 tt -125.62 127.36 46.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.234 -176.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.07 46.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 36' ' ' VAL . . . . . 0.405 HG11 HD22 ' T' ' 17' ' ' LEU . 2.5 p -127.24 135.33 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.68 15.61 10.07 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.84 -156.16 51.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.33 -56.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 0.0 111.206 172.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 179.647 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.746 0.308 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.33 35.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.246 -173.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.563 HD22 HG11 ' A' ' 36' ' ' VAL . 5.3 mp -123.86 135.57 53.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.27 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -126.08 125.34 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.51 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . 0.712 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 53.8 t80 -98.02 124.9 42.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' ALA . . . . . 0.715 ' HB1' ' O ' ' U' ' 20' ' ' PHE . . . -134.65 117.75 16.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.308 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.87 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.163 174.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.88 117.18 25.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.25 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 96.7 t -120.77 120.16 61.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 -175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 27.63 73.52 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 26' ' ' SER . . . . . 0.518 ' HA ' ' O ' ' A' ' 26' ' ' SER . 40.0 t -95.91 151.19 19.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.762 0.315 . . . . 0.0 111.215 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.71 -12.91 55.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.12 150.78 41.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.86 160.01 38.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.93 35.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 111.181 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.15 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.34 117.09 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -171.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.77 1.27 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 34' ' ' LEU . . . . . 0.415 ' C ' HD21 ' X' ' 34' ' ' LEU . 10.4 tt -125.69 127.38 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 111.222 -176.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.17 47.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 36' ' ' VAL . . . . . 0.565 HG11 HD22 ' U' ' 17' ' ' LEU . 2.5 p -127.27 135.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.68 10.02 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.19 51.73 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.26 -56.87 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.251 179.656 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.777 0.322 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.75 142.34 35.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.259 -173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 17' ' ' LEU . . . . . 0.914 HD22 HG11 ' A' ' 36' ' ' VAL . 5.3 mp -123.89 135.6 53.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.1 125.37 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.29 116.55 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.05 124.85 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.82 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.14 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.77 130.92 23.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.246 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.96 117.24 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -120.88 120.13 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.2 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.05 151.18 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 111.159 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.66 -12.9 55.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.03 150.76 41.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.285 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 160.0 38.71 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 147.99 35.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 111.186 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.24 105.26 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -116.45 117.12 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -171.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.76 1.26 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 34' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 10.4 tt -125.64 127.42 46.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 -176.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.57 130.12 46.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 36' ' ' VAL . . . . . 0.905 HG11 HD22 ' V' ' 17' ' ' LEU . 2.5 p -127.24 135.3 63.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.62 10.08 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.89 -156.26 51.86 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -175.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 39' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' VAL . 89.5 t -114.24 -56.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 111.196 172.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 91.3 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 179.67 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.834 0.35 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.32 35.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 -173.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.84 135.64 53.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.1 125.37 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.34 116.56 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.167 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.01 124.94 42.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.237 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.75 117.77 16.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.76 131.0 23.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.99 117.28 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.2 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.86 120.17 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 172.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.05 151.24 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.239 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.73 -12.91 55.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.1 150.86 41.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 159.99 38.61 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.94 35.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 111.183 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.24 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.41 117.14 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.79 1.27 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 34' ' ' LEU . . . . . 0.415 ' C ' HD21 ' Z' ' 34' ' ' LEU . 10.4 tt -125.63 127.38 46.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.61 130.13 46.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 36' ' ' VAL . . . . . 0.411 HG11 HD22 ' W' ' 17' ' ' LEU . 2.5 p -127.27 135.38 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 15.49 10.16 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.88 -156.21 51.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.23 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 111.234 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.743 0.306 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.77 142.35 35.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.221 -173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.89 135.57 53.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.14 125.36 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.32 116.47 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.198 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -97.97 124.97 42.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.72 117.7 16.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.8 130.96 23.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.95 117.23 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.236 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.88 120.22 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -174.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.04 27.78 73.56 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.06 151.26 19.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.354 . . . . 0.0 111.168 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.75 -12.84 55.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.78 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.8 160.01 38.66 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.49 148.0 35.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.184 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.33 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -116.44 117.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.8 1.27 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tt -125.62 127.44 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.15 -176.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.69 130.13 46.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.21 135.31 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.57 10.09 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.77 -156.2 51.63 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.25 -56.9 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 111.206 172.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.191 179.705 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.813 0.34 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.59 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 173.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.22 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.42 115.95 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.91 99.21 5.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.69 125.97 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.201 -174.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.75 72.83 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 173.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.19 150.53 21.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.176 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -90.23 -3.5 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.86 158.33 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.37 11.7 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.39 21.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 111.2 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.2 125.61 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 170.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.66 122.96 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.162 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.72 107.92 0.95 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 173.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HB2' HD23 ' Y' ' 34' ' ' LEU . 39.0 mt -112.09 123.92 51.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 111.18 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.43 126.16 41.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.6 t -112.27 121.34 64.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 177.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.61 46.5 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.75 -149.8 26.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.27 119.87 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.195 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 -176.218 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.573 ' HA ' ' OE1' ' B' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.838 0.351 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.05 34.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 tp -129.39 118.43 22.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.219 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.1 t -127.37 128.75 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.1 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.44 111.5 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 173.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.23 14.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.239 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.49 115.95 31.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.95 99.25 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.66 125.99 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.229 -174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.75 72.82 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -98.21 150.52 21.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 111.263 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.23 -3.54 57.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.195 176.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.34 44.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.93 -141.31 11.66 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -171.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.15 151.35 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.22 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.11 125.62 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 170.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.72 122.96 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -169.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.9 0.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -112.04 123.92 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 111.215 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.43 126.26 42.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.168 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 82.9 t -112.29 121.29 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.55 46.48 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.65 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.35 119.88 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.176 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -176.178 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.576 ' HA ' ' OE1' ' C' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.783 0.325 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.08 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.4 HD13 HD21 ' F' ' 17' ' ' LEU . 45.7 tp -129.46 118.44 22.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.257 176.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -127.39 128.74 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.252 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.34 121.09 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -175.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.53 111.47 23.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 173.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.24 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.39 115.9 31.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.92 99.26 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.69 125.93 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.251 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.66 72.89 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.16 150.56 21.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.2 -3.57 57.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.213 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.91 158.36 44.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.233 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.94 -141.34 11.68 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -171.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.32 21.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.15 125.62 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.242 170.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.62 122.95 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.236 -169.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.7 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.09 123.95 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.155 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.51 126.15 41.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.16 121.27 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.254 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.91 139.61 46.56 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.69 25.89 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.33 119.85 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.241 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 -176.113 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' D' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.13 34.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.5 22.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.47 128.75 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.37 121.04 32.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.39 111.51 23.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.262 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.28 106.25 14.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.98 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.211 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.96 99.29 5.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.76 125.92 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.75 72.83 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.17 150.55 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 111.221 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.29 -3.5 57.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.4 44.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.99 -141.3 11.63 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.38 21.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.19 125.54 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.59 122.95 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.241 -169.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.91 0.95 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.416 HD23 ' HB2' ' G' ' 34' ' ' LEU . 39.3 mt -112.09 123.99 51.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.52 126.27 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.3 121.32 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.98 139.53 46.42 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.65 -149.72 25.94 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -113.38 119.95 62.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.219 -176.176 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.575 ' HA ' ' OE1' ' E' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.816 0.341 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.6 123.16 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.42 118.48 22.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.48 128.85 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.38 121.02 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.38 111.55 24.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.275 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.22 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.45 115.91 31.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.87 99.23 5.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.67 125.97 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.212 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.89 28.66 72.87 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 173.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.1 150.56 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 111.234 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.31 -3.49 57.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.181 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.28 44.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.26 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.88 -141.32 11.68 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.11 151.32 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 111.228 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -118.09 125.6 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 170.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 122.94 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.96 0.96 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 mt -112.13 123.97 51.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 111.236 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.53 126.27 41.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 82.4 t -112.32 121.37 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.97 139.56 46.44 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.67 25.87 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.35 119.93 62.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.34 . . . . 0.0 111.172 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -176.136 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.574 ' HA ' ' OE1' ' F' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.815 0.341 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.49 123.1 35.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.243 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.4 HD21 HD13 ' C' ' 17' ' ' LEU . 45.6 tp -129.39 118.4 22.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 75.1 t -127.35 128.71 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.12 33.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.49 111.58 24.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.29 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.98 31.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.199 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.87 99.21 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -128.71 125.98 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.65 72.9 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.1 150.59 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.221 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.31 -3.51 57.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.37 44.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.28 11.61 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -171.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.32 21.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.211 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.15 125.62 74.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 170.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.65 122.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.94 0.95 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 38.7 mt -112.08 123.85 51.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 111.234 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.4 126.22 42.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.255 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.25 121.28 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.195 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.9 139.53 46.54 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.69 -149.71 25.92 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.27 119.88 61.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 -176.269 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.569 ' HA ' ' OE1' ' G' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.851 0.357 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.56 123.06 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.46 118.51 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.45 128.75 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.255 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.0 32.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.5 23.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.22 106.17 14.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.38 115.9 31.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.219 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.85 99.24 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -128.72 125.9 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.18 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 28.65 72.87 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.09 150.64 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.2 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.33 -3.54 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.98 158.31 44.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.92 -141.33 11.68 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.36 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 111.241 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.17 125.57 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.211 170.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.59 123.0 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 107.94 0.95 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' J' ' 34' ' ' LEU . 39.1 mt -112.14 123.93 51.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 111.178 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.49 126.17 41.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 82.8 t -112.22 121.22 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.88 139.61 46.61 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.77 -149.66 25.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 79.3 t -113.37 119.88 61.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.132 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.199 -1.604 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.262 -176.28 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.576 ' HA ' ' OE1' ' H' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.55 123.06 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.193 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 tp -129.39 118.52 22.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 76.2 t -127.47 128.73 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 121.14 33.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.44 111.51 23.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.29 106.13 14.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.38 115.84 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.283 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.83 99.33 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -128.74 125.95 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.79 28.62 72.95 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.56 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 111.188 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.18 -3.65 57.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.78 158.41 44.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.219 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.03 -141.33 11.65 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -171.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.34 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.13 125.68 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 170.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.72 122.99 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -170.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.69 107.87 0.95 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 173.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.07 123.85 51.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.231 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.42 126.21 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.2 121.31 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.6 46.59 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.75 25.97 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 78.8 t -113.35 119.93 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.507 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.199 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.575 ' HA ' ' OE1' ' I' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.855 0.36 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.49 123.09 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.217 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.401 HD13 HD21 ' L' ' 17' ' ' LEU . 45.5 tp -129.47 118.48 22.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 176.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.37 128.72 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.262 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.03 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.257 -175.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.55 24.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.264 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.26 14.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.48 115.82 31.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.81 99.22 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.76 125.94 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -174.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.79 28.73 72.87 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.17 150.56 21.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.33 -3.43 57.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.4 44.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.35 11.67 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.29 21.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.236 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.16 125.68 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 170.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.63 122.94 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.245 -170.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.9 0.95 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.09 123.96 51.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 111.195 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.45 126.17 41.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 81.1 t -112.11 121.31 64.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.01 139.56 46.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.66 -149.7 25.91 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.28 119.92 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.141 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.201 -1.466 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -176.251 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . 0.566 ' HA ' ' OE1' ' J' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.13 35.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.49 118.49 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 74.5 t -127.41 128.73 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.03 32.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.51 23.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.29 106.26 14.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.89 31.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.92 99.27 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 92.5 t -128.7 125.94 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -174.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.87 28.61 72.92 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.09 150.56 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.193 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.22 -3.57 57.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.22 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.87 158.36 44.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.35 11.66 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -171.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.34 21.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.16 125.63 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 170.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 123.07 70.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -169.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.96 0.95 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' M' ' 34' ' ' LEU . 39.3 mt -112.12 123.99 51.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 64.9 ttp -127.54 126.24 41.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 82.2 t -112.26 121.22 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.84 139.59 46.67 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.68 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 77.8 t -113.26 119.92 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 0.0 111.19 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -176.182 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.575 ' HA ' ' OE1' ' K' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.56 123.08 34.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.215 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.43 118.43 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.206 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.46 128.78 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.04 32.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.39 111.52 23.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.32 106.26 14.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.9 31.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.9 99.26 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.211 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.7 125.94 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.287 -174.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.72 72.82 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 173.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.18 150.54 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 111.196 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.22 -3.6 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.94 158.31 44.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.87 -141.4 11.74 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -171.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.42 21.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 111.22 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.23 125.64 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.69 123.02 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 107.91 0.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 39.4 mt -112.1 123.92 51.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.134 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.21 42.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.21 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 82.4 t -112.25 121.35 64.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.06 139.61 46.33 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.68 -149.67 25.86 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.3 119.91 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.181 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.207 -176.196 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' L' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.876 0.37 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.13 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.401 HD21 HD13 ' I' ' 17' ' ' LEU . 45.5 tp -129.44 118.52 22.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 176.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -127.52 128.79 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.42 121.05 32.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.43 111.51 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.31 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.52 115.97 31.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.96 99.29 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.73 125.94 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.25 -174.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.7 72.87 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.56 21.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.768 0.318 . . . . 0.0 111.233 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.22 -3.56 57.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.34 44.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.88 -141.34 11.69 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -171.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.18 151.29 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 111.193 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.07 125.59 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 170.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.6 122.99 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.9 0.95 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.11 123.89 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.25 42.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.192 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 82.3 t -112.21 121.39 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.02 139.61 46.39 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.76 -149.77 25.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.23 119.93 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 111.2 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -176.222 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . 0.563 ' HA ' ' OE1' ' M' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.784 0.326 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.06 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.48 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.38 128.73 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.221 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.31 121.03 32.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.53 24.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.19 106.22 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.46 115.91 31.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.82 99.28 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.74 125.98 64.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.68 72.89 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 173.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.13 150.53 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 111.191 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.15 -3.59 57.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.35 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 -141.34 11.69 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -171.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.1 151.41 21.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 0.0 111.248 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.16 125.67 74.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 170.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.63 122.92 70.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -169.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.75 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' P' ' 34' ' ' LEU . 38.9 mt -112.07 123.95 51.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 111.191 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.49 126.29 41.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 82.1 t -112.29 121.32 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.61 46.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.78 -149.7 25.89 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.27 119.89 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 111.223 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.246 -176.248 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . 0.575 ' HA ' ' OE1' ' N' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.787 0.327 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.59 123.1 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.206 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.38 118.44 22.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.213 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.39 128.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.228 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.41 121.04 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.167 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.53 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 173.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.25 14.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.96 31.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.93 99.32 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.7 125.92 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.77 72.82 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.19 150.51 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.18 -3.56 57.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.4 44.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.01 -141.29 11.62 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -171.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.18 151.41 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 111.169 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.19 125.61 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.54 123.04 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.233 -170.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.76 107.95 0.95 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.15 123.92 51.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 111.188 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.46 126.21 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.212 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.23 121.28 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.91 139.56 46.54 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.75 -149.72 25.92 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 77.9 t -113.28 119.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.183 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.199 -1.585 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.227 -176.212 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' O' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.61 123.12 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . 0.401 HD13 HD21 ' R' ' 17' ' ' LEU . 45.8 tp -129.44 118.44 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.48 128.84 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.44 121.04 32.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.5 111.58 24.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.205 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.23 14.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.214 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.49 115.99 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.91 99.25 5.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.197 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.69 125.9 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 28.74 72.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 173.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.18 150.54 21.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.684 0.278 . . . . 0.0 111.234 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.13 -3.68 57.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.253 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.84 158.31 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 -141.33 11.68 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -171.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.17 151.32 21.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.14 125.6 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 170.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.66 122.96 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 -169.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 107.93 0.95 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 mt -112.02 123.9 51.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.781 0.324 . . . . 0.0 111.224 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.43 126.24 42.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.236 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.17 121.28 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 139.62 46.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.77 -149.71 25.9 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.29 119.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 111.184 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.265 -176.241 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . 0.561 ' HA ' ' OE1' ' P' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.51 123.09 35.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 tp -129.48 118.38 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.231 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.42 128.82 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.199 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.37 120.99 32.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.42 111.5 23.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.245 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.16 106.2 14.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.93 31.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.204 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.88 99.14 5.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.73 125.93 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.192 -174.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.78 72.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 173.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.16 150.52 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.324 . . . . 0.0 111.203 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.26 -3.51 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.225 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.36 44.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.36 11.69 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.31 21.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 111.209 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.12 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.65 122.93 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.173 -169.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.88 0.95 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' S' ' 34' ' ' LEU . 39.0 mt -112.06 123.9 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 111.211 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.22 42.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -112.27 121.36 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.99 139.64 46.46 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.74 -149.72 25.92 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 78.0 t -113.32 119.91 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.212 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -176.195 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . 0.575 ' HA ' ' OE1' ' Q' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.848 0.356 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.12 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.201 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.49 118.52 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -127.47 128.76 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.4 121.0 32.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 -175.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.36 111.48 23.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.252 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.34 14.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.57 115.96 31.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.88 99.21 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.232 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.67 125.89 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.91 28.67 72.84 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.19 150.56 21.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 111.153 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.24 -3.52 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.36 44.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.0 -141.33 11.66 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -171.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.3 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 111.23 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.17 125.66 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 170.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.61 122.99 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 -169.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.89 0.95 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.05 123.94 51.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 111.162 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.5 126.22 41.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.255 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 85.1 t -112.32 121.28 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 139.56 46.61 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.76 -149.76 25.97 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.26 119.92 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 111.248 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -176.145 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . 0.571 ' HA ' ' OE1' ' R' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.809 0.338 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.61 123.11 34.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . 0.401 HD21 HD13 ' O' ' 17' ' ' LEU . 45.7 tp -129.42 118.49 22.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.209 176.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.48 128.8 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.42 121.03 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.156 -175.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.4 111.52 23.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.29 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.46 115.85 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 175.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.84 99.28 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.71 125.92 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -174.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 28.74 72.84 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.18 150.56 21.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 111.258 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -90.22 -3.57 57.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.37 44.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.97 -141.36 11.69 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -171.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.06 151.36 21.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.14 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.16 125.58 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.249 170.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.58 123.06 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -169.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.84 107.92 0.94 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 39.0 mt -112.09 123.94 51.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.196 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.52 126.24 41.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.3 121.36 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.98 139.58 46.44 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.71 -149.72 25.93 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.32 119.85 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 111.247 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.2 -1.534 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -176.162 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' S' S ' 15' ' ' GLN . . . . . 0.56 ' HA ' ' OE1' ' S' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.6 123.12 34.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.237 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.4 118.55 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.51 128.72 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.08 32.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.195 -175.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.53 24.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 173.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.34 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.56 115.96 31.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.83 99.25 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -128.73 125.98 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -174.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.7 72.84 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -98.24 150.56 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.176 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.19 -3.52 57.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.94 158.32 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.98 -141.39 11.71 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -171.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.06 151.38 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 111.182 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.19 125.64 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 170.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.67 122.98 70.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -169.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.81 107.94 0.95 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' V' ' 34' ' ' LEU . 39.1 mt -112.07 123.92 51.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.786 0.326 . . . . 0.0 111.188 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.48 126.2 41.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 83.6 t -112.25 121.22 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.83 139.53 46.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.73 -149.71 25.92 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 76.7 t -113.32 119.92 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 111.26 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 -176.122 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' T' T ' 15' ' ' GLN . . . . . 0.573 ' HA ' ' OE1' ' T' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.55 123.05 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.236 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.48 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 74.2 t -127.4 128.76 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.231 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.38 121.0 32.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.267 -175.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.37 111.49 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.22 106.3 14.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.204 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.55 115.9 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.22 175.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.82 99.25 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.253 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.69 125.92 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.68 72.88 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.2 150.55 21.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.233 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.13 -3.66 57.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.231 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.8 158.36 44.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.91 -141.36 11.71 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -171.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.08 151.31 21.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 111.218 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.12 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.231 170.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.57 123.05 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.247 -170.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.91 0.95 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.05 123.92 51.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.47 126.23 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 83.4 t -112.2 121.26 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.62 46.5 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.74 -149.72 25.93 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.28 119.9 61.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.773 0.321 . . . . 0.0 111.236 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -176.217 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' U' U ' 15' ' ' GLN . . . . . 0.569 ' HA ' ' OE1' ' U' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.809 0.338 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.5 123.06 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 17' ' ' LEU . . . . . 0.402 HD13 HD21 ' X' ' 17' ' ' LEU . 45.5 tp -129.36 118.5 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 176.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.5 128.72 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.218 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.35 120.99 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.36 111.52 23.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.264 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.28 14.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.95 31.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.89 99.3 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.8 125.89 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 -174.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.93 28.72 72.8 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.22 150.55 21.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.23 -3.6 57.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.4 44.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.37 11.68 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -171.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.05 151.4 21.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.782 0.325 . . . . 0.0 111.229 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.18 125.62 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.63 123.0 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -169.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.14 123.96 51.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.353 . . . . 0.0 111.183 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.5 126.26 41.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.29 121.3 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 139.61 46.63 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.8 -149.66 25.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 77.3 t -113.29 119.88 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -176.179 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' V' V ' 15' ' ' GLN . . . . . 0.557 ' HA ' ' OE1' ' V' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.1 34.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.32 118.49 22.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 75.6 t -127.5 128.79 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.01 32.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.244 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.48 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.2 106.21 14.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.271 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.48 115.84 31.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.174 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.87 99.3 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.79 125.89 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.86 28.72 72.84 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.52 21.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.314 . . . . 0.0 111.205 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.26 -3.41 57.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.2 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.95 158.36 44.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.3 11.64 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.16 151.36 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.19 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 97.3 mt -118.18 125.64 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 170.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 122.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -169.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.74 107.95 0.95 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 34' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' S' ' 34' ' ' LEU . 39.3 mt -112.08 123.91 51.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.229 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.49 126.23 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 83.3 t -112.24 121.28 64.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.211 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.88 139.6 46.61 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.78 -149.83 26.07 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.18 119.85 61.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 111.254 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -176.218 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' W' W ' 15' ' ' GLN . . . . . 0.57 ' HA ' ' OE1' ' W' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.728 0.299 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.61 123.09 34.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 tp -129.36 118.41 22.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 76.0 t -127.41 128.79 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.31 121.09 32.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.5 23.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 173.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.3 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.52 115.9 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.85 99.3 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.75 125.91 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.258 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.8 72.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.21 150.5 21.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.345 . . . . 0.0 111.172 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.16 -3.63 57.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.206 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.88 158.38 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.28 11.63 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.15 151.39 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.22 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.22 125.54 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 170.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.64 122.98 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.7 107.95 0.95 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 173.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.1 123.88 51.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.748 0.309 . . . . 0.0 111.209 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.42 126.29 42.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -112.33 121.3 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.64 46.61 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 77.2 t -113.26 119.89 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 111.234 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -176.204 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' GLN . . . . . 0.567 ' HA ' ' OE1' ' X' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.48 123.1 35.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.402 HD21 HD13 ' U' ' 17' ' ' LEU . 45.7 tp -129.39 118.49 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 176.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -127.52 128.75 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 120.96 32.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.187 -175.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.32 111.44 23.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.264 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.21 106.26 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.229 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.44 115.91 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.94 99.26 5.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.72 125.93 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.21 -174.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.7 72.84 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.21 150.57 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.207 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.19 -3.57 57.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.88 158.41 44.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.05 -141.37 11.67 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -171.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.05 151.34 21.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 111.24 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.14 125.64 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.68 123.01 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 -169.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.76 107.88 0.95 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 173.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.03 123.93 51.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 111.213 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 64.9 ttp -127.55 126.29 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -112.22 121.31 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.132 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 139.56 46.53 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.66 -149.74 25.96 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.29 119.92 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.201 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -176.228 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' Y' Y ' 15' ' ' GLN . . . . . 0.556 ' HA ' ' OE1' ' Y' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.924 0.393 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.13 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 tp -129.46 118.41 22.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.38 128.72 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.237 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 121.0 32.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.6 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.28 106.27 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.47 115.88 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.85 99.27 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.76 125.94 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -174.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 28.74 72.84 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 173.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.11 150.56 21.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.192 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.25 -3.57 57.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.4 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.205 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.03 -141.33 11.65 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -171.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.39 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 111.273 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -118.19 125.63 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 170.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.67 123.07 70.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 107.98 0.95 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 34' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' V' ' 34' ' ' LEU . 38.9 mt -112.11 123.91 51.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.334 . . . . 0.0 111.195 -178.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.47 126.2 41.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.2 121.34 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.9 139.5 46.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.75 25.97 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 77.5 t -113.24 119.87 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.23 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.145 -176.172 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' Z' Z ' 15' ' ' GLN . . . . . 0.566 ' HA ' ' OE1' ' Z' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.852 0.358 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.57 123.11 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.39 118.44 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.233 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -127.43 128.73 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.05 32.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.219 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.59 24.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.33 106.24 14.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.44 115.86 31.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.228 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.86 99.34 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.209 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.79 125.9 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 -174.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.73 72.86 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.14 150.62 21.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.737 0.303 . . . . 0.0 111.193 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.29 -3.55 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.38 44.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.29 11.64 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -171.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.35 21.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.21 125.68 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 170.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.66 122.97 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.99 0.95 Allowed Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 mt -112.09 123.95 51.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.52 126.15 41.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.224 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.19 121.28 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.81 139.56 46.71 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.7 -149.77 25.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.27 119.93 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.272 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -176.112 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.82 0.343 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.56 123.13 35.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 tp -129.39 118.46 22.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.24 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.47 128.78 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.41 121.04 32.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.37 111.57 24.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.33 106.19 14.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.37 115.94 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.94 99.28 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 93.0 t -128.71 125.92 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.75 72.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 173.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.24 150.61 21.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 111.13 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.27 -3.55 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.166 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.86 158.37 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.36 11.69 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -171.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.14 151.29 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.13 125.62 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.196 170.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.65 122.97 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.74 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.09 123.99 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.185 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.48 126.13 41.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.264 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.2 121.34 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.97 139.57 46.45 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.72 25.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.33 119.88 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.196 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.255 -176.226 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.743 0.306 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.9 124.78 53.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 175.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.59 17.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.91 26.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.43 110.14 19.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.9 t -121.01 117.9 54.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 -172.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.72 3.15 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 170.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 t -136.92 147.58 46.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.191 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.97 -15.29 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.256 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -131.0 154.55 48.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.68 42.54 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.25 162.52 12.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.173 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.71 113.02 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.55 108.92 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.17 136.01 8.14 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.52 133.65 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 111.261 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.05 176.26 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 172.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -108.66 -61.22 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.175 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.81 25.38 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.29 16.12 65.22 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.26 153.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 111.226 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.213 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.44 126.33 22.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.91 131.22 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.63 106.82 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.22 111.03 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.216 -170.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.92 124.81 53.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.62 17.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.241 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.4 136.84 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.42 110.19 19.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 81.0 t -121.0 117.88 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.257 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.51 62.69 3.16 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.82 147.55 46.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.9 -15.5 58.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.82 154.67 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.67 42.51 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.23 162.64 12.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.345 . . . . 0.0 111.155 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -100.75 113.03 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.55 108.88 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 -173.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.07 8.18 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.441 HD13 HD21 ' E' ' 34' ' ' LEU . 39.6 tp -129.52 133.72 47.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 173.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.17 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -108.69 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.81 25.37 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.37 16.05 65.19 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -79.29 153.43 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.194 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.245 179.166 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.41 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.94 131.16 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -105.55 106.85 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.29 110.98 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 -170.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.96 124.87 53.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.157 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.64 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.88 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.219 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.47 110.25 19.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 83.9 t -121.05 117.98 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 -172.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.45 62.76 3.14 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.82 147.59 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 0.0 111.183 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.08 -15.32 58.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.88 154.63 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.65 42.49 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.68 12.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 0.0 111.229 -177.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.81 113.0 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.52 108.98 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.08 8.18 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.56 133.67 47.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 173.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.22 9.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -108.65 -61.17 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.27 -165.92 25.35 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.42 16.06 65.07 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -79.23 153.37 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 111.275 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 179.183 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.779 0.323 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.48 126.32 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.249 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -107.94 131.31 54.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 68.8 t -105.71 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -116.34 111.05 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 -170.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.93 124.82 53.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.59 17.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.211 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.32 136.86 26.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.247 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.17 19.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 81.6 t -121.03 117.87 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 -172.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.57 62.73 3.13 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 170.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.86 147.54 46.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.749 0.309 . . . . 0.0 111.196 -175.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.04 -15.31 58.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.9 154.63 47.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.248 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.69 161.66 42.54 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.24 162.57 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 111.283 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -100.75 113.09 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.5 108.95 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.183 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.24 135.96 8.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.49 133.69 47.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 111.215 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.15 9.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.241 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.66 -61.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.26 -165.77 25.38 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.26 16.12 65.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.23 153.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 111.222 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.181 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.356 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.38 22.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.232 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.93 131.25 54.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.6 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.34 111.0 19.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 -170.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.89 124.8 53.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.235 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.66 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.38 136.9 26.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.47 110.22 19.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 81.7 t -121.04 117.9 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -172.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.69 3.16 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 170.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.85 147.55 46.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.97 -15.44 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.155 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.85 154.68 47.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.212 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.73 161.66 42.45 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.63 12.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.263 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.69 113.03 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.56 108.89 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.2 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.03 8.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.444 HD13 HD21 ' H' ' 34' ' ' LEU . 39.2 tp -129.48 133.81 47.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.136 173.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.23 176.14 9.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.183 172.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 90.1 t -108.54 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.216 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.78 25.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.26 16.17 65.17 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.31 153.37 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 111.19 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.292 179.094 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.76 0.314 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.44 22.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.97 131.29 54.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -105.58 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.31 110.96 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 -170.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.86 124.86 53.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.202 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.59 16.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.201 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.92 26.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.46 110.1 19.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 82.2 t -120.93 117.97 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -172.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.43 62.76 3.14 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.55 46.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 0.0 111.218 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.31 58.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.9 154.66 47.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.69 42.54 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.58 12.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.749 0.309 . . . . 0.0 111.261 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.68 112.99 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.55 108.96 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 -173.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.46 133.67 47.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 111.2 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.07 176.18 9.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.259 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.65 -61.19 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.25 -165.87 25.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.03 65.27 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.17 153.45 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 111.233 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.212 179.14 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.749 0.309 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.44 126.42 22.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.98 131.22 54.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 69.4 t -105.59 106.77 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 175.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.24 110.93 19.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.86 124.82 53.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.244 175.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.79 125.63 17.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.236 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.41 136.91 26.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.45 110.21 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -121.06 118.02 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.41 62.7 3.17 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 170.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.79 147.59 46.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 111.254 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.38 58.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.8 154.65 47.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.74 161.74 42.51 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.6 12.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.185 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.75 113.04 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 -173.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.29 135.95 8.09 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.5 133.71 47.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 111.209 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.06 176.19 9.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.67 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.22 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.76 25.38 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.34 16.04 65.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.22 153.33 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.203 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.49 126.41 22.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.01 131.31 54.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -105.66 106.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.27 110.99 19.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.93 124.77 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.59 17.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.256 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.36 136.93 26.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.47 110.17 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 82.8 t -120.96 117.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.51 62.69 3.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 170.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.89 147.62 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 111.123 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.09 -15.3 58.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.234 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.87 154.62 47.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.74 42.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.56 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 111.206 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.72 113.08 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.56 108.99 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.95 8.09 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.444 HD21 HD13 ' E' ' 34' ' ' LEU . 39.3 tp -129.48 133.74 47.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 111.183 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.16 176.12 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 172.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 88.6 t -108.6 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.33 -165.79 25.39 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.09 65.2 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.25 153.38 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.322 . . . . 0.0 111.192 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 179.14 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.737 0.303 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.52 126.39 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.24 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.91 131.25 54.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -105.64 106.77 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.19 111.03 19.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.268 -170.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.97 124.84 53.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.64 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.9 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.46 110.14 19.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 82.1 t -120.99 117.88 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.233 -172.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.62 62.73 3.12 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 170.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.92 147.55 46.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 -175.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.01 -15.44 58.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.85 154.67 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.66 161.7 42.63 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.29 162.67 12.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 0.0 111.24 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -100.72 112.96 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.276 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 -173.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.0 8.13 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.45 133.63 47.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 111.263 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.08 176.17 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.257 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.57 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.21 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.79 25.38 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.04 65.23 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.18 153.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 111.206 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.155 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.42 126.4 22.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.238 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.97 131.29 54.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.68 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.19 110.92 19.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.239 -170.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.88 124.83 53.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.228 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.78 125.61 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 174.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.4 136.89 26.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.205 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.46 110.21 19.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 81.3 t -121.02 117.88 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -172.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.82 3.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.9 147.6 46.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.759 0.314 . . . . 0.0 111.223 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.05 -15.37 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.6 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.65 161.74 42.69 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.33 162.54 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.179 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.1 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.56 108.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 -173.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.07 8.17 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.61 133.67 47.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.197 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.23 9.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 172.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -108.66 -61.3 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.35 -165.84 25.39 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.38 16.05 65.16 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -79.22 153.4 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 111.187 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.191 179.163 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.853 0.359 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.35 22.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.91 131.28 54.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.265 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -105.62 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.06 19.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -170.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.99 124.84 53.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.55 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.281 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.28 136.92 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.178 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.44 110.14 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.97 117.88 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 -172.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.8 3.12 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.9 147.61 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 111.182 -175.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.07 -15.38 58.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.61 47.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.64 42.51 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.61 12.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.76 113.06 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.57 108.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 -173.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.05 8.16 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.442 HD21 HD13 ' H' ' 34' ' ' LEU . 39.4 tp -129.55 133.7 47.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.186 173.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.11 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.64 -61.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.251 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.22 -165.82 25.36 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.32 16.08 65.24 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.22 153.39 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.181 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.144 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.783 0.325 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.54 126.41 22.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.224 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 46.2 mt -107.94 131.27 54.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.199 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 68.1 t -105.66 106.94 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.38 110.92 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.205 -170.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.83 124.8 53.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.229 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 125.56 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 174.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.29 136.88 26.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -113.51 110.18 19.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 80.1 t -120.94 117.86 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 -172.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.81 3.11 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.95 147.57 46.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 111.138 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.36 58.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.72 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.233 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.7 42.55 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.36 162.54 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.06 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.53 108.94 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -173.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.04 8.16 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 39.4 tp -129.52 133.72 47.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 111.172 173.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.17 176.17 9.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 172.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.7 -61.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.21 -165.84 25.35 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.28 16.16 65.16 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.28 153.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.137 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.32 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.232 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.91 131.17 54.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -105.59 106.92 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.39 111.08 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -170.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -111.91 124.92 53.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.201 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.89 125.63 16.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 174.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.37 136.92 26.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.53 110.17 19.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 81.2 t -120.96 117.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.55 62.68 3.15 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.84 147.55 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 111.23 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.9 -15.48 58.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.252 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.85 154.6 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.212 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.68 161.7 42.6 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.66 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.138 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.78 113.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.58 108.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.213 -173.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 135.97 8.11 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.49 133.75 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 111.097 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.14 176.25 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.74 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.29 -165.83 25.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.01 65.36 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.21 153.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.212 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.2 -1.548 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.226 179.165 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.777 0.323 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.41 126.35 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.97 131.36 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.6 106.85 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 175.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.31 111.07 19.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -170.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.98 124.88 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.92 125.67 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 173.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.91 26.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.204 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.53 110.25 19.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.207 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 81.4 t -120.99 117.97 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.213 -172.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.71 3.16 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.86 147.51 46.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 -175.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.97 -15.36 58.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.91 154.59 47.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.73 42.72 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 162.61 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -177.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.76 113.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.58 108.86 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -173.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.08 8.18 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.438 HD21 HD13 ' K' ' 34' ' ' LEU . 39.5 tp -129.54 133.63 47.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 173.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.09 176.23 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 172.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.66 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.83 25.36 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.09 65.13 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.25 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.167 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.83 0.348 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.45 126.4 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.9 131.15 54.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -105.51 106.82 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 175.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.26 111.06 19.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.211 -170.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -111.97 124.82 53.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.69 17.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.4 136.85 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.228 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.45 110.15 19.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.192 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.0 117.9 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -172.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.63 3.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 170.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.55 46.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.235 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.98 -15.47 58.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.8 154.63 47.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.267 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.73 42.69 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.63 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.821 0.344 . . . . 0.0 111.199 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.83 113.09 35.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.61 109.05 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.32 135.98 8.11 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.47 133.73 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 0.0 111.196 173.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.16 176.2 9.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -108.64 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.23 -165.91 25.34 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.37 16.18 64.92 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.33 153.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.205 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.502 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 179.179 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.34 22.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.92 131.26 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.25 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.65 106.87 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.37 111.06 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -170.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -111.91 124.82 53.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.224 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.78 125.73 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 173.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.43 136.87 26.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.45 110.21 19.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.04 117.95 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.44 62.78 3.14 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.87 147.57 46.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.4 58.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.202 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.92 154.67 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.65 42.64 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.29 162.63 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.718 0.294 . . . . 0.0 111.218 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.7 113.08 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.56 108.87 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.51 133.69 47.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.196 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.17 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -108.67 -61.11 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.19 -165.85 25.34 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.41 16.09 65.03 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.31 153.35 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.791 0.329 . . . . 0.0 111.183 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--O 1.201 -1.449 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.787 0.327 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.36 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.94 131.24 54.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.276 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -105.55 106.73 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.23 110.91 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 -170.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.86 124.81 53.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.231 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.65 17.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.274 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.41 136.86 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.217 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.14 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 82.7 t -120.93 117.91 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 -172.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.81 3.12 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 170.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.86 147.53 46.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.774 0.321 . . . . 0.0 111.18 -175.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.95 -15.5 58.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.78 154.61 47.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.23 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.62 161.74 42.76 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.61 12.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.321 . . . . 0.0 111.222 -177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.74 113.07 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.202 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.57 108.86 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.239 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.26 135.95 8.1 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . 0.439 HD13 HD21 ' T' ' 34' ' ' LEU . 39.4 tp -129.49 133.73 47.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 173.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.2 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.176 172.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 89.4 t -108.69 -61.03 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.251 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.16 -165.83 25.34 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.34 16.06 65.24 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.29 153.41 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.855 0.359 . . . . 0.0 111.206 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.246 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.38 22.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.95 131.19 54.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.55 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.26 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.26 110.98 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 -170.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.94 124.89 53.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 125.64 17.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 174.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.34 136.85 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.4 110.15 19.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.03 117.95 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.183 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.44 62.73 3.15 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.88 147.59 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.92 -15.46 58.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.193 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.86 154.72 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.85 161.73 42.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.61 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -100.65 113.04 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.55 108.97 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -173.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.21 135.98 8.12 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.49 133.66 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 111.215 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.18 9.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 172.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 89.5 t -108.65 -61.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.32 -165.8 25.39 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.31 16.08 65.25 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.24 153.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 111.107 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.201 -1.454 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.238 179.075 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.44 22.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . . . . . . . . . 46.1 mt -108.02 131.2 54.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.58 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.32 110.99 19.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -170.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.93 124.78 53.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.227 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.77 125.7 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 173.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.89 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.41 110.07 19.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 81.9 t -120.92 117.86 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.249 -172.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.73 3.14 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 170.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 39.6 t -136.84 147.58 46.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.147 -175.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.39 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.6 47.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.212 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.59 161.65 42.73 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.63 12.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.76 113.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 175.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.01 8.13 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.47 133.7 47.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 111.198 173.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.25 9.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.68 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.86 25.35 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.14 65.03 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.28 153.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.199 -1.581 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.211 179.111 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.57 126.41 22.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.99 131.35 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.67 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.26 111.05 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 -170.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -111.96 124.82 53.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.271 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.81 125.61 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.21 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.36 136.89 26.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.15 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 82.5 t -121.01 117.89 54.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -172.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.47 62.71 3.16 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.79 147.66 46.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.1 -15.37 58.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.84 154.63 47.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.71 42.56 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.55 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 0.0 111.153 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 82.1 mt -100.74 113.08 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.186 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.52 108.94 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.212 -173.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.26 135.98 8.11 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 34' ' ' LEU . . . . . 0.444 HD13 HD21 ' W' ' 34' ' ' LEU . 39.2 tp -129.56 133.69 47.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 0.0 111.181 173.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.05 176.23 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 172.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.65 -61.21 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.246 174.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.86 25.36 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.35 16.22 64.87 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.31 153.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 111.155 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 179.124 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.849 0.357 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.42 22.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.04 131.26 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 67.5 t -105.59 106.79 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.206 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.23 111.02 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 -170.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.97 124.85 53.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.6 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 174.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.33 136.83 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.39 110.11 19.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.243 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 82.3 t -120.95 117.92 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.4 62.81 3.13 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.89 147.6 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.733 0.301 . . . . 0.0 111.199 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.97 -15.43 58.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.86 154.69 47.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.71 42.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 162.65 12.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.75 0.309 . . . . 0.0 111.187 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -100.75 113.0 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.263 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.46 108.94 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.245 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.31 136.01 8.12 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.49 133.69 47.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.321 . . . . 0.0 111.218 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.15 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.209 172.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.59 -61.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.249 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.27 -165.81 25.37 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.32 16.12 65.14 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -79.26 153.38 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.2 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 179.174 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.4 22.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.94 131.24 54.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 68.2 t -105.61 106.81 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.21 111.05 19.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.238 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -112.01 124.85 53.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.247 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.81 125.61 17.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.223 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.35 136.92 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.48 110.15 19.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -120.94 117.91 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.206 -172.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.63 3.18 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 170.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.8 147.62 46.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 111.2 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.02 -15.34 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.91 154.67 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.7 42.54 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.55 12.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.74 113.07 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.52 108.9 25.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 -173.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.29 135.96 8.1 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.43 133.68 47.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.209 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.08 176.17 9.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.61 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.83 25.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.04 65.22 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.25 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 0.0 111.187 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.135 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.841 0.353 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.41 126.39 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 mt -107.99 131.24 54.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.66 106.91 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.02 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.96 124.79 53.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.66 17.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.35 136.92 26.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -113.48 110.12 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.25 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 82.3 t -120.96 117.93 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -172.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.79 3.13 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.82 147.58 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 111.185 -175.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.06 -15.39 58.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.88 154.61 47.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.72 161.73 42.56 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.24 162.62 12.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 111.194 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.82 113.04 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.54 108.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 34' ' ' LEU . . . . . 0.447 HD13 HD21 ' Z' ' 34' ' ' LEU . 39.4 tp -129.48 133.73 47.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.768 0.318 . . . . 0.0 111.186 173.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.18 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 172.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.65 -61.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.26 -165.84 25.36 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.43 16.04 65.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.25 153.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 111.188 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.201 -1.452 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.329 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.43 126.34 22.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.257 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.93 131.18 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.195 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -105.57 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.207 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.27 111.05 19.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -111.96 124.82 53.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.242 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.62 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.32 136.85 26.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.41 110.16 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.238 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -121.0 117.95 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -172.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.55 62.69 3.15 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 170.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.84 147.61 46.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 111.24 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.39 58.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.23 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.89 154.62 47.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.67 161.71 42.62 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.6 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.233 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.7 113.03 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.246 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.54 108.92 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.22 136.05 8.16 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.56 133.69 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.204 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.15 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 172.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.65 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.29 -165.82 25.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.3 16.17 65.08 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.28 153.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.201 -1.465 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 179.069 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.804 0.335 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.42 126.36 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.95 131.23 54.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.56 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 175.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.28 111.02 19.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -112.01 124.84 53.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 175.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.62 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 173.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.38 136.98 26.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.6 110.17 19.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 82.7 t -121.01 117.97 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -172.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.39 62.73 3.16 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.84 147.59 46.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 111.214 -175.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.39 58.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.61 47.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.66 161.69 42.64 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.58 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.73 113.01 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.245 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.55 108.99 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -173.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 136.05 8.16 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.52 133.74 47.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.741 0.305 . . . . 0.0 111.252 173.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.19 9.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.6 -61.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.195 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.8 25.38 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.27 16.16 65.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.32 153.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.202 -1.442 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.182 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.332 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.52 126.41 22.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.97 131.2 54.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -105.57 106.78 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.265 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.24 111.02 19.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -170.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.95 124.88 53.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.6 17.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.43 136.89 26.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.45 110.25 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.2 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 80.7 t -121.01 117.94 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.29 -172.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.74 3.14 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.64 46.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.04 -15.36 58.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.201 175.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.9 154.69 47.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.222 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.75 161.76 42.52 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.33 162.59 12.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.246 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.06 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.57 108.89 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.16 136.01 8.14 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 34' ' ' LEU . . . . . 0.447 HD21 HD13 ' W' ' 34' ' ' LEU . 39.3 tp -129.53 133.68 47.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 173.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.09 176.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.204 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -108.68 -61.19 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.78 25.39 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.25 16.18 65.17 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.27 153.45 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.37 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.272 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.02 131.29 54.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.63 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.22 111.01 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -170.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -111.96 124.79 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.67 125.63 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.247 173.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.4 136.89 26.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.48 110.22 19.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 81.3 t -120.98 117.96 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.222 -172.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.76 3.14 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 170.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.87 147.6 46.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.07 -15.33 58.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.61 47.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.6 161.7 42.75 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.22 162.6 12.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.265 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 82.2 mt -100.75 113.05 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.55 108.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.205 -173.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 136.0 8.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -129.52 133.75 47.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 111.156 173.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.14 176.2 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 172.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 89.6 t -108.66 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.21 -165.79 25.36 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.1 65.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.23 153.41 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 0.0 111.16 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.104 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.851 0.358 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.59 111.45 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.559 ' C ' HD21 ' A' ' 17' ' ' LEU . 6.5 tt -110.29 104.46 13.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.53 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.54 117.05 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.68 115.02 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' Y' ' 21' ' ' ALA . . . -142.85 130.35 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.8 143.56 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.47 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' X' ' 24' ' ' VAL . 97.0 t -128.14 126.41 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -172.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.13 2.81 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.38 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 111.2 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.0 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.226 166.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.85 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.39 38.67 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.79 14.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.213 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.61 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 172.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.81 119.58 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -174.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.53 3.84 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.46 HD21 HD13 ' Y' ' 34' ' ' LEU . 41.7 tp -131.33 119.87 22.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 111.256 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.57 36.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' X' ' 36' ' ' VAL . 99.3 t -132.37 127.13 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 -177.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.61 125.34 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.336 . . . . 0.0 111.169 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.199 -1.563 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 177.357 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.767 0.318 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.63 111.5 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.564 ' C ' HD21 ' B' ' 17' ' ' LEU . 6.5 tt -110.36 104.44 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -116.48 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.52 117.05 33.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.63 114.97 22.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.255 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' E' ' 21' ' ' ALA . . . -142.84 130.34 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.228 175.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.76 143.51 29.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.24 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.86 112.52 14.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.207 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.3 t -128.17 126.41 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.37 62.09 2.82 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.11 -177.32 5.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.19 -51.04 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 166.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.83 158.81 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 174.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.89 -164.35 38.66 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 172.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.71 162.84 14.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.206 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.16 114.51 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.79 119.68 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -174.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 117.56 3.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.7 tp -131.4 119.87 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.203 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.21 124.64 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.45 127.09 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.5 0.49 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.62 125.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 111.195 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 177.371 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.59 111.49 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.558 ' C ' HD21 ' C' ' 17' ' ' LEU . 6.5 tt -110.35 104.44 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -116.5 101.62 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.48 117.09 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.7 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' F' ' 21' ' ' ALA . . . -142.87 130.31 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 175.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.74 143.55 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.85 112.52 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' F' ' 24' ' ' VAL . 98.9 t -128.24 126.45 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 -172.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.4 62.09 2.81 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.37 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 111.152 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.06 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 166.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.8 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.37 38.65 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.66 162.78 14.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 111.199 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.17 114.55 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 172.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.79 119.59 58.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -174.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 172.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.458 HD13 HD21 ' F' ' 34' ' ' LEU . 41.5 tp -131.38 119.89 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.225 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.55 36.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' F' ' 36' ' ' VAL . 99.2 t -132.33 127.04 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.235 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.26 150.42 6.12 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.47 0.5 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.4 t -128.58 125.37 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.208 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 177.319 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.818 0.342 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.57 111.45 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.563 ' C ' HD21 ' D' ' 17' ' ' LEU . 6.5 tt -110.35 104.49 13.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.51 101.72 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.6 117.03 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.59 114.99 22.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' G' ' 21' ' ' ALA . . . -142.87 130.35 21.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.78 143.56 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.94 112.5 14.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.2 126.5 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -172.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.22 62.19 2.82 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.15 -177.38 5.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.07 -51.08 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.212 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.78 158.86 15.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.03 -164.37 38.54 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 172.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.8 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.13 114.55 46.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 172.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.78 119.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 117.6 3.86 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 172.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.462 HD13 HD21 ' G' ' 34' ' ' LEU . 41.5 tp -131.34 119.83 22.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.308 . . . . 0.0 111.222 -176.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.0 ttm -128.23 124.62 37.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.06 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.5 0.49 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.6 125.31 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.24 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 177.377 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.838 0.351 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.61 111.45 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.564 ' C ' HD21 ' E' ' 17' ' ' LEU . 6.5 tt -110.34 104.47 13.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.5 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.203 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.67 114.98 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -142.84 130.39 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.57 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.9 112.5 14.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.16 126.48 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -172.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.08 -177.35 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.202 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.09 -51.09 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 166.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.81 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.31 38.62 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.7 162.81 14.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.188 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.53 45.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 172.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.74 119.65 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -173.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.61 3.86 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.402 HD13 HD21 ' H' ' 34' ' ' LEU . 41.5 tp -131.39 119.86 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 -176.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.2 124.61 37.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.1 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.37 6.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.66 125.33 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 111.18 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.199 -1.587 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 177.349 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.63 111.43 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.558 HD21 ' C ' ' F' ' 17' ' ' LEU . 6.5 tt -110.31 104.42 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.221 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.44 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.54 117.11 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.7 114.96 22.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' C' ' 21' ' ' ALA . . . -142.84 130.38 21.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.81 143.59 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.96 112.5 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 97.8 t -128.17 126.43 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -172.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.13 2.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.39 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.203 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.06 -51.07 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 166.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.84 15.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.36 38.63 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 172.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.71 162.84 14.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.228 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.21 114.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.75 119.62 58.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -174.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 172.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.462 HD13 HD21 ' I' ' 34' ' ' LEU . 41.7 tp -131.36 119.83 22.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.211 -176.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.66 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.217 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' I' ' 36' ' ' VAL . 99.4 t -132.35 127.05 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.252 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.18 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.72 51.52 0.49 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 97.0 t -128.65 125.27 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.228 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 177.327 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.807 0.336 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.55 111.42 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.226 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.564 ' C ' HD21 ' G' ' 17' ' ' LEU . 6.5 tt -110.3 104.43 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 66.3 t -116.46 101.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.225 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.48 117.06 33.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.69 115.02 22.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' J' ' 21' ' ' ALA . . . -142.84 130.34 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.78 143.53 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.85 112.51 14.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.23 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 -172.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.08 2.83 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.07 -177.3 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 0.0 111.219 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.11 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 166.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.73 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.36 38.6 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.63 162.81 14.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.54 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.212 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.75 119.6 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.3 117.61 3.86 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 172.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.462 HD21 HD13 ' D' ' 34' ' ' LEU . 41.6 tp -131.33 119.88 22.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.775 0.322 . . . . 0.0 111.218 -176.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.61 37.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.41 127.1 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.23 150.39 6.11 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.62 51.47 0.5 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -128.59 125.33 63.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 111.166 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.199 -1.574 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 177.311 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.49 4.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.563 ' C ' HD21 ' H' ' 17' ' ' LEU . 6.5 tt -110.34 104.45 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.46 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.55 117.0 32.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.63 115.04 22.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' K' ' 21' ' ' ALA . . . -142.89 130.41 21.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 175.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.86 143.55 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.88 112.47 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.205 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 97.8 t -128.14 126.45 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.228 -172.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.27 62.19 2.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.16 -177.38 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.11 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 166.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.222 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.96 -164.34 38.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.82 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 111.235 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.18 114.57 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.22 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.72 119.58 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -173.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.59 3.86 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.403 HD13 HD21 ' K' ' 34' ' ' LEU . 41.7 tp -131.37 119.9 22.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 111.216 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.26 124.61 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.4 127.07 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.24 150.34 6.1 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.6 125.32 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.813 0.339 . . . . 0.0 111.258 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 177.382 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.79 0.328 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.61 111.45 4.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.562 ' C ' HD21 ' I' ' 17' ' ' LEU . 6.5 tt -110.32 104.44 13.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.5 101.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.57 117.01 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.65 114.98 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.168 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' F' ' 21' ' ' ALA . . . -142.81 130.34 21.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.57 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.9 112.53 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' F' ' 24' ' ' VAL . 97.8 t -128.23 126.46 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.29 62.16 2.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.16 -177.36 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.15 -50.99 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 166.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.84 15.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.36 38.62 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.325 . . . . 0.0 111.224 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.58 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.75 119.6 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.247 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.6 3.86 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.463 HD13 HD21 ' L' ' 34' ' ' LEU . 41.7 tp -131.36 119.89 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.229 -176.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.64 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' F' ' 36' ' ' VAL . 98.8 t -132.45 127.09 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.38 6.11 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.59 51.53 0.5 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -128.64 125.39 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 177.373 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.5 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.557 ' C ' HD21 ' J' ' 17' ' ' LEU . 6.5 tt -110.3 104.39 13.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.48 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.5 117.06 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -120.68 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' M' ' 21' ' ' ALA . . . -142.86 130.39 21.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 175.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -145.86 143.57 29.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.92 112.51 14.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 96.8 t -128.2 126.48 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 -172.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.28 62.14 2.82 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.4 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.181 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.03 -51.1 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 166.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.75 158.82 15.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.98 -164.33 38.57 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.78 14.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 111.204 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.18 114.54 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.209 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.73 119.57 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.209 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.22 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.459 HD21 HD13 ' G' ' 34' ' ' LEU . 41.5 tp -131.36 119.9 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.212 -176.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.63 37.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.41 127.05 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.25 150.34 6.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.53 0.49 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.6 125.35 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 111.205 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.229 177.328 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.821 0.343 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.64 111.47 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . 0.565 HD21 ' C ' ' K' ' 17' ' ' LEU . 6.5 tt -110.35 104.5 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.53 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.56 117.06 33.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -120.68 115.06 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' H' ' 21' ' ' ALA . . . -142.92 130.37 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.54 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.92 112.54 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.191 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -128.24 126.44 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.32 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.198 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.08 -51.11 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 166.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.222 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.95 -164.37 38.62 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 172.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.8 14.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 111.184 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.2 114.54 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.72 119.59 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 172.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.403 HD21 HD13 ' H' ' 34' ' ' LEU . 41.5 tp -131.39 119.91 22.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.352 . . . . 0.0 111.209 -176.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.6 37.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.224 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.4 127.04 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.24 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.41 0.49 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 96.8 t -128.55 125.33 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 111.243 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 177.361 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.35 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.48 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.215 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.564 ' C ' HD21 ' L' ' 17' ' ' LEU . 6.5 tt -110.31 104.46 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.5 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.54 117.04 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.68 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' I' ' 21' ' ' ALA . . . -142.87 130.38 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.86 143.54 29.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.48 14.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' I' ' 24' ' ' VAL . 95.7 t -128.17 126.4 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.219 -172.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.3 62.18 2.81 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.35 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 111.207 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.07 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 166.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.74 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.95 -164.39 38.62 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 172.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.86 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 111.195 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -117.23 114.55 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.71 119.57 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.53 3.84 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . 0.463 HD21 HD13 ' I' ' 34' ' ' LEU . 41.6 tp -131.3 119.9 22.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.216 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.62 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' I' ' 36' ' ' VAL . 99.1 t -132.4 127.07 56.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.68 51.48 0.49 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.6 125.3 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 177.372 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.54 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . 0.545 ' C ' HD21 ' M' ' 17' ' ' LEU . 6.5 tt -110.35 104.39 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.46 101.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.47 117.0 32.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.249 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.61 114.99 22.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -142.86 130.36 21.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 175.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.53 29.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.86 112.5 14.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.16 126.42 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -172.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.15 2.81 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.13 -177.41 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 111.249 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.05 -51.08 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.8 158.88 15.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.177 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.01 -164.29 38.52 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 172.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.74 162.81 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 111.2 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.19 114.52 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 172.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.76 119.65 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . 0.463 HD13 HD21 ' P' ' 34' ' ' LEU . 41.6 tp -131.4 119.85 22.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -176.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.22 124.66 37.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.44 127.06 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.32 6.08 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.73 51.46 0.49 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.59 125.33 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.19 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 177.322 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.832 0.348 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.66 111.47 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . 0.556 ' C ' HD21 ' N' ' 17' ' ' LEU . 6.5 tt -110.32 104.45 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.23 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.45 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.53 116.99 32.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.246 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -120.6 115.03 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' K' ' 21' ' ' ALA . . . -142.9 130.35 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 175.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.51 29.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.89 112.5 14.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.16 126.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.29 62.1 2.83 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.36 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 111.201 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.14 -51.12 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.73 158.87 15.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.0 -164.41 38.59 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.61 162.82 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 111.223 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.19 114.53 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.76 119.64 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.6 3.85 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 172.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.403 HD21 HD13 ' K' ' 34' ' ' LEU . 41.6 tp -131.39 119.9 22.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.195 -176.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.3 124.64 37.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.37 127.11 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.217 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.17 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.57 125.32 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 177.293 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.774 0.321 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.47 4.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . 0.558 ' C ' HD21 ' O' ' 17' ' ' LEU . 6.5 tt -110.33 104.48 13.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.5 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.51 117.05 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.63 115.0 22.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' L' ' 21' ' ' ALA . . . -142.87 130.36 21.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.79 143.49 29.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.83 112.55 14.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 97.8 t -128.21 126.44 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 -172.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.28 62.17 2.81 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -144.15 -177.32 5.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.153 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.12 -51.09 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 166.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.73 158.86 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 174.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.38 38.6 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.82 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 111.204 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.74 119.58 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -174.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.24 117.54 3.84 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . 0.461 HD21 HD13 ' L' ' 34' ' ' LEU . 41.5 tp -131.37 119.89 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.34 . . . . 0.0 111.201 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.22 124.64 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' L' ' 36' ' ' VAL . 99.1 t -132.37 127.08 56.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.235 -177.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.54 0.49 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.62 125.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 111.196 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 177.335 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.806 0.336 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.53 111.49 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.554 ' C ' HD21 ' P' ' 17' ' ' LEU . 6.5 tt -110.31 104.41 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.43 101.69 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 176.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.56 117.07 33.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.65 115.0 22.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' M' ' 21' ' ' ALA . . . -142.85 130.41 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.57 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.237 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.89 112.51 14.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 95.6 t -128.19 126.47 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.19 2.8 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.19 -177.39 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.173 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.09 -51.03 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 166.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.02 -164.34 38.54 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.78 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.17 114.55 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 172.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.77 119.57 58.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.262 -174.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.23 117.61 3.87 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.465 HD13 HD21 ' S' ' 34' ' ' LEU . 41.4 tp -131.37 119.88 22.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 111.197 -176.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.23 124.61 37.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.34 127.11 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.18 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.62 51.5 0.49 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.6 125.36 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.201 -1.498 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 177.339 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.65 111.51 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . 0.544 ' C ' HD21 ' Q' ' 17' ' ' LEU . 6.5 tt -110.31 104.47 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -116.5 101.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.47 117.05 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.66 115.02 22.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' N' ' 21' ' ' ALA . . . -142.87 130.38 21.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.214 175.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.55 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.88 112.51 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.19 126.47 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.25 62.12 2.83 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.08 -177.4 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.324 . . . . 0.0 111.23 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.04 -51.09 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 166.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.76 158.83 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.33 38.58 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.82 14.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 111.235 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.21 114.52 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.72 119.6 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -173.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.41 119.89 22.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.207 -176.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.28 124.64 37.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.38 127.06 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.73 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -174.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.63 125.35 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.195 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.232 177.356 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.787 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.57 111.47 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . 0.547 ' C ' HD21 ' R' ' 17' ' ' LEU . 6.5 tt -110.36 104.49 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.51 101.64 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.52 117.09 33.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.67 114.99 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' U' ' 21' ' ' ALA . . . -142.86 130.41 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 175.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.81 143.59 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.92 112.48 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.218 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' O' ' 24' ' ' VAL . 96.9 t -128.16 126.43 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -172.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.3 62.11 2.82 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.08 -177.33 5.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.181 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.17 -51.0 3.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.213 166.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.82 158.77 15.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.38 38.65 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 172.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.63 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.798 0.333 . . . . 0.0 111.178 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.18 114.52 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 172.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.7 119.62 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 172.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . 0.458 HD21 HD13 ' O' ' 34' ' ' LEU . 41.6 tp -131.35 119.82 22.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.232 -176.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.63 37.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.224 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' O' ' 36' ' ' VAL . 99.1 t -132.42 127.08 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.31 6.08 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.5 0.49 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.57 125.33 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 111.199 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 177.331 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.64 111.48 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.561 ' C ' HD21 ' S' ' 17' ' ' LEU . 6.5 tt -110.37 104.47 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -116.52 101.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.48 117.03 32.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.64 115.01 22.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.217 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' P' ' 21' ' ' ALA . . . -142.89 130.38 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 175.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.56 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.236 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.55 14.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.18 126.43 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -172.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.35 62.11 2.81 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.37 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.309 . . . . 0.0 111.219 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -104.13 -51.08 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 166.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.72 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.33 38.6 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.81 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.17 114.56 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 172.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.76 119.58 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -173.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.465 HD21 HD13 ' P' ' 34' ' ' LEU . 41.6 tp -131.35 119.83 22.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 0.0 111.214 -176.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.23 124.69 37.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.45 127.1 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.23 150.36 6.1 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.45 0.49 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -174.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -128.54 125.3 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.264 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 177.37 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.327 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.62 111.45 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 17' ' ' LEU . . . . . 0.545 ' C ' HD21 ' T' ' 17' ' ' LEU . 6.5 tt -110.34 104.46 13.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.47 101.61 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.48 117.08 33.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.208 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -120.67 114.95 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' Q' ' 21' ' ' ALA . . . -142.86 130.34 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -145.79 143.53 29.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.87 112.54 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.19 126.45 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.34 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.1 -177.36 5.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.328 . . . . 0.0 111.19 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.14 -51.04 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 166.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.84 15.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.93 -164.36 38.63 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.81 14.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 111.211 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 172.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.77 119.6 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.27 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 41.7 tp -131.35 119.85 22.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 111.236 -176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.17 124.62 37.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.4 127.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.193 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.58 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.66 125.29 63.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 177.341 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.57 111.48 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.246 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 17' ' ' LEU . . . . . 0.555 ' C ' HD21 ' U' ' 17' ' ' LEU . 6.5 tt -110.28 104.45 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.54 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.66 115.01 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 21' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' X' ' 21' ' ' ALA . . . -142.85 130.37 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 175.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.82 143.52 29.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.9 112.52 14.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 24' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' R' ' 24' ' ' VAL . 97.4 t -128.16 126.44 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -172.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.09 2.82 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.1 -177.37 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.205 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.05 -51.06 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 166.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.81 158.8 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.31 38.61 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 172.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.7 162.81 14.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.18 114.5 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.268 172.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.71 119.62 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.3 117.55 3.84 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 34' ' ' LEU . . . . . 0.452 HD21 HD13 ' R' ' 34' ' ' LEU . 41.7 tp -131.36 119.88 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 111.221 -176.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.58 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 36' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' R' ' 36' ' ' VAL . 99.3 t -132.38 127.11 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.3 6.08 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.6 125.34 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 111.199 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 177.355 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.333 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.61 111.43 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 17' ' ' LEU . . . . . 0.563 ' C ' HD21 ' V' ' 17' ' ' LEU . 6.5 tt -110.3 104.45 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.47 101.7 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.65 115.0 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 21' ' ' ALA . . . . . 0.462 ' O ' ' HA ' ' S' ' 21' ' ' ALA . . . -142.87 130.34 21.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 175.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.55 29.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.48 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.235 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.15 126.47 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -172.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.22 62.18 2.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.11 -177.37 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.212 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.03 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 166.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.86 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.98 -164.38 38.6 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.84 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.182 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.19 114.52 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.74 119.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 34' ' ' LEU . . . . . 0.465 HD21 HD13 ' S' ' 34' ' ' LEU . 41.7 tp -131.31 119.88 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 111.235 -176.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.66 37.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.12 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.16 150.3 6.08 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.69 51.51 0.49 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.61 125.31 63.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 111.208 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 177.36 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.67 111.53 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 17' ' ' LEU . . . . . 0.55 ' C ' HD21 ' W' ' 17' ' ' LEU . 6.5 tt -110.42 104.45 13.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.42 101.64 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.207 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.5 117.05 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.65 114.99 22.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 21' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' Z' ' 21' ' ' ALA . . . -142.88 130.38 21.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.56 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.87 112.44 14.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.15 126.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.11 2.82 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.41 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 111.21 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.06 -51.11 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 166.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.79 15.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 174.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.37 38.65 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 172.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.76 14.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.322 . . . . 0.0 111.209 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.12 114.54 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.73 119.61 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 -174.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.56 3.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 tp -131.34 119.84 22.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.765 0.317 . . . . 0.0 111.212 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.61 37.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.45 127.1 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.7 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.6 125.31 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.182 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 177.307 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.792 0.33 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.55 111.47 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.558 ' C ' HD21 ' X' ' 17' ' ' LEU . 6.5 tt -110.32 104.48 13.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.217 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.49 101.59 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.48 117.03 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.222 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.63 114.99 22.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' ALA . . . -142.85 130.41 21.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 175.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.87 143.53 29.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.9 112.53 14.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 97.6 t -128.23 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -172.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.18 2.8 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.15 -177.33 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.347 . . . . 0.0 111.185 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.16 -51.02 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.233 166.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.81 15.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.96 -164.37 38.61 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.82 14.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 111.181 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.2 114.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.74 119.56 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.24 117.55 3.85 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 172.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 34' ' ' LEU . . . . . 0.449 HD13 HD21 ' A' ' 34' ' ' LEU . 41.5 tp -131.34 119.94 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.202 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.31 124.6 36.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 36' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 99.5 t -132.34 127.09 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.49 0.49 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.62 125.33 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 111.198 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 177.352 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.6 111.51 4.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 17' ' ' LEU . . . . . 0.562 ' C ' HD21 ' Y' ' 17' ' ' LEU . 6.5 tt -110.34 104.49 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.51 101.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.51 117.07 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.71 114.96 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 21' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' V' ' 21' ' ' ALA . . . -142.82 130.4 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.54 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.5 14.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 173.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.2 126.44 66.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 -172.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.15 2.81 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.34 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.183 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.12 -51.11 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 166.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.76 158.84 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 174.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.02 -164.33 38.54 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.82 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 111.174 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 172.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.75 119.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -174.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.58 3.85 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 34' ' ' LEU . . . . . 0.463 HD21 HD13 ' V' ' 34' ' ' LEU . 41.8 tp -131.38 119.82 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 111.222 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.64 37.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.41 127.08 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.25 150.34 6.1 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.46 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.61 125.33 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.184 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 177.369 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.819 0.343 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.49 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 17' ' ' LEU . . . . . 0.559 ' C ' HD21 ' Z' ' 17' ' ' LEU . 6.5 tt -110.37 104.43 13.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.43 101.62 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.47 117.08 33.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.66 114.98 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' W' ' 21' ' ' ALA . . . -142.89 130.39 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 175.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.82 143.59 29.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.93 112.5 14.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 97.1 t -128.17 126.48 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.23 62.14 2.83 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.37 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.222 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.07 -51.1 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 166.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.74 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.194 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.37 38.63 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.77 14.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.195 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.12 114.6 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.8 119.64 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.62 3.86 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 41.4 tp -131.41 119.89 22.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 111.217 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.66 37.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 98.7 t -132.42 127.07 56.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.213 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.26 150.39 6.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.68 51.45 0.49 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.6 125.34 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 111.182 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 177.332 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.46 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.214 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -110.28 104.48 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.49 101.66 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.54 117.07 33.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.64 115.0 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.86 130.36 21.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.51 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.5 14.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.244 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.19 126.43 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.192 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.14 2.81 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.34 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.175 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.08 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 166.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.8 15.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.87 -164.36 38.69 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 172.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.72 162.82 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.19 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.56 46.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 172.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.76 119.62 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.59 3.85 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 172.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.4 119.88 22.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 111.154 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.63 37.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.4 127.05 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.53 125.33 63.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.317 . . . . 0.0 111.213 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 177.321 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.524 -0.052 0 CA-C-O 120.845 0.355 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.59 139.09 57.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' X' ' 17' ' ' LEU . 60.0 mt -116.51 136.39 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -112.69 115.57 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.71 112.07 20.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.58 110.99 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.67 108.35 18.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.242 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.34 113.45 25.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -174.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.9 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.28 122.52 68.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.41 -22.31 38.06 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.644 ' O ' ' HA ' ' X' ' 26' ' ' SER . 30.7 t -56.65 144.93 30.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.338 . . . . 0.0 111.205 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.486 ' HA ' ' HA ' ' Y' ' 26' ' ' SER . 85.6 m-20 -102.08 -2.25 29.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 174.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.277 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' Y' ' 29' ' ' GLY . . . -92.55 -161.35 36.42 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -172.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.44 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.166 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.1 119.89 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.26 130.74 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' Y' ' 33' ' ' GLY . . . -143.01 123.37 2.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.64 HD12 HD23 ' X' ' 34' ' ' LEU . 59.4 mt -120.22 141.07 50.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 111.196 -175.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.48 11.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 175.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.88 111.63 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.17 -4.51 48.62 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.65 -128.68 10.48 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.39 -51.92 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.214 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.199 -1.566 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 -175.57 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.809 0.338 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.43 138.95 57.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.261 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.44 136.37 53.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.188 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.68 115.5 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.71 112.05 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.244 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.46 110.98 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.25 18.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.187 175.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.21 113.54 25.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -174.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.98 96.19 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.16 122.53 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.32 37.97 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 30.7 t -56.68 145.02 30.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.186 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.15 -2.18 29.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.42 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 -176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.57 -161.31 36.38 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -172.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.12 149.49 28.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 111.113 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.07 119.86 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 176.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.21 130.8 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.34 2.09 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 175.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.23 141.08 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.183 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.27 106.59 11.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.1 t -105.93 111.64 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.54 48.88 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.65 10.39 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.45 -51.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.199 -1.586 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.207 -175.606 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.11 57.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.548 HD23 ' HB2' ' F' ' 17' ' ' LEU . 59.7 mt -116.53 136.32 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.68 115.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.77 112.07 20.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.224 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 111.03 13.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.66 108.35 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.31 113.54 25.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.01 96.34 5.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.28 122.46 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.52 -22.38 37.65 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.649 ' HA ' ' O ' ' F' ' 26' ' ' SER . 30.6 t -56.67 145.02 30.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.237 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.15 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' F' ' 28' ' ' LYS . 93.7 mttt -115.67 176.4 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -176.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.59 -161.33 36.38 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -172.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.43 28.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 111.226 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.03 119.9 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.175 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.28 130.69 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.95 123.46 2.13 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.622 HD23 HD12 ' F' ' 34' ' ' LEU . 59.2 mt -120.28 141.11 50.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.49 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -105.86 111.63 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.48 48.72 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 -128.63 10.51 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.45 -51.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.21 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -175.55 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.57 139.08 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.545 HD23 ' HB2' ' G' ' 17' ' ' LEU . 59.5 mt -116.46 136.39 53.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.28 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -112.62 115.51 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.74 112.03 20.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.55 111.06 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.72 108.28 18.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.28 113.49 25.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.36 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 95.6 t -120.3 122.48 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.52 -22.4 37.62 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' G' ' 26' ' ' SER . 30.6 t -56.62 145.01 29.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.22 29.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.241 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.444 ' O ' ' HA3' ' G' ' 29' ' ' GLY . . . -92.63 -161.34 36.36 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -172.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.49 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.208 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.08 119.89 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.29 130.74 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.54 ' O ' ' HA2' ' G' ' 33' ' ' GLY . . . -143.02 123.45 2.12 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.24 141.07 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 0.0 111.224 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.34 106.53 11.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -105.92 111.61 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.16 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.47 48.63 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 -128.66 10.49 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.42 -51.97 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.199 -1.558 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 -175.604 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.729 0.299 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.45 139.1 57.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.51 136.35 53.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.247 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 88.9 t -112.68 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.78 112.04 20.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.51 111.0 13.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.262 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.32 18.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.28 113.51 25.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.95 96.26 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.27 122.5 68.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -175.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.32 37.97 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -56.63 144.92 30.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 111.223 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.1 -2.19 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.62 176.43 5.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.62 -161.31 36.35 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -172.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.4 28.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.822 0.344 . . . . 0.0 111.214 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -123.06 119.84 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.3 130.7 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.19 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.4 2.12 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 58.5 mt -120.24 141.11 50.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 111.265 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.37 106.5 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t -105.85 111.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.238 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.5 48.8 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.59 -128.68 10.54 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.4 -51.93 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.36 . . . . 0.0 111.203 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -175.597 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.753 0.311 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.11 57.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.244 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.552 HD23 ' HB2' ' I' ' 17' ' ' LEU . 59.4 mt -116.45 136.37 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.188 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -112.65 115.48 49.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.63 112.08 20.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.254 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.01 13.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.29 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.18 113.53 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.267 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.93 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.37 122.51 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.53 -22.38 37.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.649 ' O ' ' HA ' ' C' ' 26' ' ' SER . 30.6 t -56.6 144.96 29.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.11 -2.22 29.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' I' ' 28' ' ' LYS . 93.6 mttt -115.74 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.164 -176.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.6 -161.32 36.36 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -172.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.09 149.41 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.204 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.08 119.88 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.24 130.72 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.98 123.48 2.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.622 HD12 HD23 ' C' ' 34' ' ' LEU . 58.9 mt -120.24 141.04 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 111.259 -175.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.5 11.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -105.91 111.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.187 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.22 -4.47 48.41 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.68 10.47 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.46 -51.9 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 0.0 111.265 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -175.629 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.807 0.337 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.54 139.19 57.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' J' ' 17' ' ' LEU . 60.1 mt -116.56 136.34 53.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -112.64 115.53 50.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -116.66 112.07 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.176 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.58 111.09 13.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.21 18.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.12 113.49 25.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 -174.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.0 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.29 122.5 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.3 38.05 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' SER . . . . . 0.536 ' O ' ' HA ' ' D' ' 26' ' ' SER . 30.6 t -56.69 145.03 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 111.254 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.464 ' HA ' ' HA ' ' D' ' 26' ' ' SER . 85.6 m-20 -102.17 -2.2 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 174.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.68 176.43 5.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.446 ' O ' ' HA3' ' J' ' 29' ' ' GLY . . . -92.57 -161.3 36.37 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -172.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.41 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.12 119.91 59.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.22 130.72 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' D' ' 33' ' ' GLY . . . -142.94 123.36 2.1 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.17 141.14 50.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.764 0.316 . . . . 0.0 111.238 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.44 11.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.92 111.73 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.54 48.77 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.69 -128.65 10.43 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.44 -51.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.357 . . . . 0.0 111.172 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.773 0.321 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.09 57.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -116.5 136.3 53.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.161 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.67 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.68 112.12 20.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 110.97 13.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.26 18.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.228 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.14 113.47 25.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.236 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.99 96.38 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.34 122.49 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 -22.27 38.17 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 30.7 t -56.72 145.01 30.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 111.174 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.16 -2.18 29.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.37 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.53 -161.28 36.38 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -172.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.42 28.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.192 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.05 119.84 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.22 130.81 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.0 123.3 2.09 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.17 141.11 50.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.328 . . . . 0.0 111.221 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.44 11.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.28 175.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.81 111.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.05 -4.5 49.07 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.74 10.47 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.38 -51.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.743 0.306 . . . . 0.0 111.199 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -175.522 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.784 0.326 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.54 139.12 57.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.554 HD23 ' HB2' ' L' ' 17' ' ' LEU . 59.4 mt -116.51 136.34 53.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.66 115.48 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.218 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.62 112.06 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.269 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.49 111.01 13.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.21 18.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.48 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -174.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.87 96.34 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.41 122.53 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.4 -22.29 38.13 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 26' ' ' SER . . . . . 0.648 ' O ' ' HA ' ' F' ' 26' ' ' SER . 30.7 t -56.7 145.02 30.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 111.225 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.15 29.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.204 174.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' F' ' 28' ' ' LYS . 93.7 mttt -115.63 176.37 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 -176.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.54 -161.37 36.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -172.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.44 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 111.231 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.14 119.78 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.18 130.78 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -176.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' L' ' 33' ' ' GLY . . . -142.98 123.37 2.1 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.617 HD23 HD12 ' L' ' 34' ' ' LEU . 59.0 mt -120.2 141.13 50.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 111.21 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.46 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.219 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.89 111.62 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.42 48.56 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.52 -128.65 10.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.39 -52.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 -175.579 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.53 139.08 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' M' ' 17' ' ' LEU . 59.5 mt -116.54 136.37 53.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.71 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.75 112.15 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.149 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.54 111.02 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 174.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.33 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.21 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.54 25.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.99 96.26 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.3 122.55 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -175.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 -22.36 37.86 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.533 ' O ' ' HA ' ' G' ' 26' ' ' SER . 30.8 t -56.74 144.96 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 111.223 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.466 ' HA ' ' HA ' ' G' ' 26' ' ' SER . 85.5 m-20 -102.09 -2.1 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 174.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.69 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' G' ' 29' ' ' GLY . . . -92.63 -161.37 36.38 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -172.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.42 28.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 111.205 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.05 119.88 58.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 176.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.22 130.71 71.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' G' ' 33' ' ' GLY . . . -142.98 123.38 2.1 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.23 141.12 50.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 111.17 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.38 106.51 11.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.92 111.58 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.42 48.73 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 -128.67 10.54 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.36 -51.97 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 111.196 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.787 0.327 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.52 139.09 57.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.201 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.51 136.38 53.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 91.0 t -112.71 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.219 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.7 112.01 20.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.47 110.99 13.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.27 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.217 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.54 25.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.99 96.33 5.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.35 122.52 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.227 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.44 -22.31 38.01 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -56.67 145.05 30.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.347 . . . . 0.0 111.192 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.24 -2.08 29.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 174.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.43 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.37 36.42 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.04 149.47 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.186 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.14 119.89 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.26 130.77 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.93 123.29 2.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.21 141.12 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 -175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.49 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -105.87 111.6 35.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.255 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.43 48.73 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.64 -128.57 10.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.54 -51.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.199 -1.564 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -175.608 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.05 57.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' O' ' 17' ' ' LEU . 59.4 mt -116.5 136.39 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -112.64 115.48 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -116.62 112.05 20.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.57 111.1 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.173 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.23 18.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.48 25.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.97 96.3 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 96.0 t -120.24 122.42 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.237 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -22.31 37.96 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 26' ' ' SER . . . . . 0.647 ' O ' ' HA ' ' I' ' 26' ' ' SER . 30.7 t -56.66 144.94 30.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 111.176 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.07 -2.23 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' I' ' 28' ' ' LYS . 93.6 mttt -115.67 176.4 5.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -176.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.36 36.42 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.05 149.48 28.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 111.198 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.13 119.84 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.16 130.78 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -143.01 123.38 2.1 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . 0.622 HD23 HD12 ' O' ' 34' ' ' LEU . 59.1 mt -120.2 141.06 50.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 111.264 -175.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.22 106.38 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.239 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.82 111.69 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.284 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.06 -4.45 48.97 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.68 10.41 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.41 -51.9 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.195 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--O 1.199 -1.56 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 -175.532 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.66 139.11 57.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . 0.551 HD23 ' HB2' ' P' ' 17' ' ' LEU . 59.4 mt -116.45 136.38 53.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -112.67 115.51 50.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.247 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.7 112.08 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.5 111.03 13.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.22 18.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.95 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.27 122.45 68.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 -22.26 38.21 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 26' ' ' SER . . . . . 0.531 ' O ' ' HA ' ' J' ' 26' ' ' SER . 30.7 t -56.75 145.05 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' HA ' ' J' ' 26' ' ' SER . 85.5 m-20 -102.21 -2.17 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 174.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . 0.448 ' O ' ' HA3' ' P' ' 29' ' ' GLY . . . -92.69 -161.3 36.3 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -172.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.43 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -123.13 119.91 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.22 130.71 71.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.253 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . 0.537 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -142.97 123.36 2.1 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.18 141.08 50.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.42 11.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.245 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 87.9 t -105.9 111.61 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -176.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.2 -4.52 48.52 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.59 -128.65 10.52 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.41 -51.95 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -175.524 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.78 0.324 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.54 139.05 57.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 -175.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.48 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 89.7 t -112.71 115.45 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.69 112.09 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.48 110.95 13.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.276 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.33 18.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.25 113.49 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 -174.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.97 96.36 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.31 122.47 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.54 -22.43 37.46 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -56.64 144.97 30.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 111.228 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.11 -2.21 29.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.6 -161.29 36.35 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -172.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.09 149.46 28.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 111.192 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.17 119.83 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.15 130.84 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.07 123.34 2.09 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.19 141.12 50.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.0 111.167 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.43 11.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -105.91 111.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.01 -4.36 49.08 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.55 -128.65 10.55 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.38 -52.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.22 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.249 -175.639 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.48 139.09 57.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' R' ' 17' ' ' LEU . 59.5 mt -116.46 136.34 53.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 88.3 t -112.67 115.47 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.229 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.65 112.09 20.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.59 111.06 13.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 174.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.31 18.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.54 25.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.31 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.2 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.35 122.47 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.46 -22.28 38.09 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 26' ' ' SER . . . . . 0.647 ' O ' ' HA ' ' L' ' 26' ' ' SER . 30.6 t -56.64 145.0 29.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 111.174 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.18 -2.18 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' L' ' 28' ' ' LYS . 93.7 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -176.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.57 -161.33 36.39 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -172.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.5 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 111.205 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -123.18 119.79 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.14 130.75 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.208 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.4 2.11 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . 0.627 HD23 HD12 ' R' ' 34' ' ' LEU . 59.1 mt -120.16 141.14 50.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.243 -175.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.35 106.44 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.194 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -105.91 111.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.5 48.97 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.78 10.5 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.4 -51.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.225 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.819 0.343 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.47 139.12 57.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.255 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' S' ' 17' ' ' LEU . 59.5 mt -116.43 136.41 53.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.68 115.5 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.67 112.01 20.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.243 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 111.09 13.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.189 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.72 108.31 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.198 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.51 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.191 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.3 122.46 68.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.193 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 -22.46 37.34 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 26' ' ' SER . . . . . 0.528 ' O ' ' HA ' ' M' ' 26' ' ' SER . 30.6 t -56.54 145.04 29.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 111.191 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . 0.476 ' HA ' ' HA ' ' M' ' 26' ' ' SER . 85.6 m-20 -102.23 -2.22 29.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 174.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.65 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' M' ' 29' ' ' GLY . . . -92.65 -161.31 36.33 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -172.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.43 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 111.29 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.11 119.93 59.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.29 130.78 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -176.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' M' ' 33' ' ' GLY . . . -142.96 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.22 141.11 50.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.26 106.51 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.97 111.71 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.51 48.73 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.64 -128.67 10.49 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.39 -51.94 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -175.591 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.48 139.07 57.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 mt -116.47 136.46 52.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -112.74 115.52 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.73 112.09 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.48 111.07 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 174.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.22 18.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.205 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.19 113.5 25.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 -174.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.99 96.36 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.228 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 94.4 t -120.33 122.48 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.194 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.37 37.72 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 30.7 t -56.71 145.07 30.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 111.212 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.24 -2.13 29.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.63 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.61 -161.32 36.36 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.43 28.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.24 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.12 119.87 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 88.5 mt -127.21 130.79 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.97 123.35 2.1 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 59.1 mt -120.2 141.08 50.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.727 0.299 . . . . 0.0 111.274 -175.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.57 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 175.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -105.97 111.65 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 -176.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.52 48.71 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.68 10.44 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 97.6 t -121.44 -51.97 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.811 0.338 . . . . 0.0 111.14 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -175.623 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.772 0.32 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.43 139.04 57.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' U' ' 17' ' ' LEU . 59.6 mt -116.45 136.39 53.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -112.74 115.51 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.66 112.07 20.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.201 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 110.99 13.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.39 18.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.51 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.173 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.98 96.18 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 95.9 t -120.2 122.53 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.47 -22.31 37.99 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 26' ' ' SER . . . . . 0.646 ' O ' ' HA ' ' O' ' 26' ' ' SER . 30.9 t -56.79 144.99 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.187 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.11 -2.11 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' O' ' 28' ' ' LYS . 93.7 mttt -115.75 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 -176.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.35 36.4 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -172.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.07 149.41 28.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.223 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.11 119.88 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -127.23 130.66 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.273 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.32 2.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . 0.632 HD23 HD12 ' U' ' 34' ' ' LEU . 58.9 mt -120.22 141.07 50.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.216 -175.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.55 11.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.91 111.62 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.42 48.76 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 -128.74 10.55 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.37 -51.99 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.154 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 -175.565 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.46 139.1 57.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.25 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' V' ' 17' ' ' LEU . 59.5 mt -116.57 136.36 53.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.191 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -112.73 115.54 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.67 112.14 20.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.206 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.6 111.0 13.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.33 18.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.111 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.29 113.55 25.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -174.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.43 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.39 122.46 68.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.43 37.52 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 26' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' P' ' 26' ' ' SER . 30.7 t -56.68 145.03 30.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 111.16 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 27' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' P' ' 26' ' ' SER . 85.5 m-20 -102.12 -2.21 29.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.259 174.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.7 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 29' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' P' ' 29' ' ' GLY . . . -92.65 -161.36 36.36 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -172.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.96 149.5 28.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 111.236 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.19 119.82 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.202 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.18 130.78 71.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 33' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' P' ' 33' ' ' GLY . . . -142.96 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 175.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.2 141.08 50.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.738 0.304 . . . . 0.0 111.273 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.49 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 88.2 t -105.85 111.66 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.44 48.9 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.65 -128.62 10.44 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.51 -51.93 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.211 -175.579 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.779 0.323 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.55 139.03 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -116.42 136.38 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.242 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -112.63 115.57 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.73 112.09 20.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.02 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.24 18.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.15 113.45 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.29 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.92 96.37 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.35 122.4 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.46 -22.25 38.21 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -56.76 145.13 30.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 111.151 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.25 -2.16 29.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.206 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.66 176.36 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.49 -161.4 36.48 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -172.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.02 149.46 28.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.778 0.323 . . . . 0.0 111.222 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.13 119.87 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.2 130.74 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.98 123.45 2.12 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.29 141.12 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.197 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.28 106.48 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.256 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -105.92 111.64 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.17 -4.51 48.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.68 10.47 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.42 -51.95 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 111.144 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.257 -175.572 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.741 0.305 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.55 139.09 57.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 17' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' X' ' 17' ' ' LEU . 59.7 mt -116.49 136.38 53.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.72 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.7 112.1 20.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.54 110.95 13.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.66 108.29 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.259 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.53 25.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.94 96.3 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.34 122.57 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 -22.39 37.74 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 26' ' ' SER . . . . . 0.644 ' O ' ' HA ' ' R' ' 26' ' ' SER . 30.6 t -56.63 145.07 29.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 111.236 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.19 -2.18 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 174.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.65 176.42 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -176.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.29 36.37 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -172.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.42 28.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.321 . . . . 0.0 111.18 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -123.12 119.81 58.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.18 130.74 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.95 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 34' ' ' LEU . . . . . 0.636 HD23 HD12 ' X' ' 34' ' ' LEU . 59.2 mt -120.19 141.12 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.236 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.47 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -105.85 111.61 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -176.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.44 48.63 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.57 -128.65 10.54 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.42 -52.01 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.178 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -175.555 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.837 0.351 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.45 139.07 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.158 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 17' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' Y' ' 17' ' ' LEU . 59.5 mt -116.53 136.44 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.71 115.53 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.68 112.11 20.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.212 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.59 110.97 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.31 18.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.42 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.237 -174.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.92 96.25 4.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.245 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -120.38 122.46 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.55 -22.34 37.77 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 26' ' ' SER . . . . . 0.521 ' O ' ' HA ' ' S' ' 26' ' ' SER . 30.7 t -56.71 144.98 30.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 111.222 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' V' V ' 27' ' ' ASN . . . . . 0.482 ' HA ' ' HA ' ' S' ' 26' ' ' SER . 85.6 m-20 -102.09 -2.25 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 174.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.55 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.284 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 29' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' S' ' 29' ' ' GLY . . . -92.61 -161.29 36.34 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.11 149.4 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 111.275 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.03 119.85 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.26 130.79 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.205 -176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 33' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' S' ' 33' ' ' GLY . . . -143.03 123.33 2.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' V' V ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.17 141.18 50.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 -175.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.36 106.49 11.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -105.99 111.73 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.51 48.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.67 -128.6 10.41 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.49 -51.93 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 111.172 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 87.3 t . . . . . 0 C--O 1.199 -1.554 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 -175.593 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.54 139.11 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.48 136.37 53.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -112.71 115.57 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.69 112.04 20.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.24 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.5 111.15 14.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.8 108.27 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.22 113.54 25.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.98 96.34 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -120.34 122.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -175.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 -22.37 37.63 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 30.7 t -56.66 145.04 29.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.157 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.22 -2.17 29.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.66 176.35 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 -176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.49 -161.22 36.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -172.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.17 149.4 28.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 111.234 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.07 119.85 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.21 130.74 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -176.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.99 123.39 2.11 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 59.0 mt -120.22 141.03 50.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 0.0 111.231 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.25 106.47 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.23 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.88 111.66 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.56 48.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.63 10.39 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.51 -52.01 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 111.121 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.211 -175.588 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.839 0.352 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.06 57.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.558 ' HB2' HD23 ' U' ' 17' ' ' LEU . 59.6 mt -116.49 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.7 115.53 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.74 112.06 20.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.07 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.3 18.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.26 4.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.226 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -120.28 122.56 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.28 38.1 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 26' ' ' SER . . . . . 0.644 ' HA ' ' O ' ' A' ' 26' ' ' SER . 30.8 t -56.7 145.05 30.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.21 -2.15 29.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 174.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.58 176.47 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.69 -161.29 36.3 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -172.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.47 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.178 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.09 119.94 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.32 130.66 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 34' ' ' LEU . . . . . 0.64 HD23 HD12 ' A' ' 34' ' ' LEU . 59.0 mt -120.17 141.11 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 111.245 -175.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.43 11.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -105.89 111.68 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.07 -4.46 48.95 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.61 -128.66 10.5 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.37 -52.03 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.349 . . . . 0.0 111.243 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.199 -1.571 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.207 -175.602 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.815 0.34 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.48 139.1 57.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 17' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' V' ' 17' ' ' LEU . 59.8 mt -116.51 136.41 53.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.69 115.49 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.71 112.11 20.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 111.04 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.19 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.13 113.55 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -174.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.02 96.31 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.33 122.46 68.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.33 37.87 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 26' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 26' ' ' SER . 30.8 t -56.63 145.02 29.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.0 111.202 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 27' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' V' ' 26' ' ' SER . 85.6 m-20 -102.18 -2.16 29.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 174.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.7 176.45 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.18 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 29' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' V' ' 29' ' ' GLY . . . -92.57 -161.36 36.41 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -172.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.07 149.45 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 111.233 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.15 119.86 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.21 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.25 130.78 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 33' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' V' ' 33' ' ' GLY . . . -142.97 123.49 2.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 175.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 34' ' ' LEU . . . . . . . . . . . . . 59.5 mt -120.28 141.11 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.347 . . . . 0.0 111.204 -175.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.32 106.4 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 90.1 t -105.91 111.67 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -176.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.44 48.62 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.69 10.48 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.47 -51.94 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 111.166 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -175.633 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.06 57.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.173 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 59.4 mt -116.48 136.33 53.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.236 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -112.66 115.55 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.72 112.01 20.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 111.05 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.33 18.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.207 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.0 96.33 5.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -120.34 122.5 68.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.56 -22.45 37.39 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -56.59 144.96 29.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.231 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.18 -2.01 30.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.4 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.193 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.33 36.38 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -172.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.04 149.41 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 111.268 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.09 119.92 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.27 130.67 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.215 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.97 123.43 2.12 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.24 141.1 50.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.249 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.45 11.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.88 111.71 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.229 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.1 -4.49 48.86 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.65 10.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.46 -51.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 0.0 111.168 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -175.581 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.774 0.321 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.47 139.05 57.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 59.4 mt -116.42 136.38 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.71 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.69 112.12 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.6 111.05 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 174.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.65 108.23 18.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.224 175.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.25 113.54 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.235 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.199 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -120.39 122.43 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.59 -22.46 37.3 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -56.55 144.98 29.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.13 -2.25 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 174.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.59 176.38 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.27 36.35 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -172.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.37 28.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 111.242 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.1 119.86 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.238 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.22 130.74 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.24 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.33 2.09 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.19 141.1 50.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 111.224 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.27 106.51 11.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.88 111.69 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.04 -4.38 48.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.68 -128.7 10.47 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.46 -51.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 111.217 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -175.582 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.731 0.3 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.76 142.31 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -173.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.83 135.59 53.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -126.12 125.33 67.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.25 116.59 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.206 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -98.08 125.02 42.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB1' ' O ' ' X' ' 20' ' ' PHE . . . -134.81 117.69 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.68 130.95 23.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 174.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.96 117.26 25.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -120.91 120.15 61.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.05 27.75 73.55 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 172.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.518 ' O ' ' HA ' ' X' ' 26' ' ' SER . 40.0 t -96.07 151.14 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.202 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.62 -12.84 55.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.219 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.85 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.86 160.06 38.6 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.54 147.94 35.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.24 105.27 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.46 116.99 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -171.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 110.8 1.28 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' Y' ' 34' ' ' LEU . 10.4 tt -125.66 127.34 46.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.248 -176.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.54 130.14 47.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.914 HG11 HD22 ' Y' ' 17' ' ' LEU . 2.5 p -127.26 135.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.56 10.08 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.17 51.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' Y' ' 39' ' ' VAL . 90.6 t -114.33 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.732 0.301 . . . . 0.0 111.166 172.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 C--O 1.2 -1.536 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 179.663 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.32 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -173.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.419 HD22 HG11 ' E' ' 36' ' ' VAL . 5.3 mp -123.88 135.61 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.12 125.34 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.26 116.56 20.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.04 125.0 42.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.86 117.77 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.72 130.91 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.24 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.19 25.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.24 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.82 120.15 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.211 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.12 27.75 73.55 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -96.1 151.19 19.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.191 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.61 -12.88 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.21 150.85 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 160.0 38.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.55 148.03 35.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.826 0.346 . . . . 0.0 111.193 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.31 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 -171.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.97 110.79 1.26 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.416 ' C ' HD21 ' B' ' 34' ' ' LEU . 10.4 tt -125.62 127.36 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.184 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.6 130.08 46.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.2 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.2 135.34 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.6 10.1 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.23 51.81 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -175.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.22 -56.88 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 111.231 172.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.713 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.784 0.326 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.75 142.28 35.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.564 HD22 HG11 ' F' ' 36' ' ' VAL . 5.3 mp -123.81 135.62 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.236 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.16 125.31 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.61 20.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.722 ' O ' ' HB1' ' F' ' 21' ' ' ALA . 54.0 t80 -98.04 124.96 42.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.8 117.77 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.74 130.92 23.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.23 25.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.8 120.16 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.09 27.75 73.55 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' F' ' 26' ' ' SER . 39.9 t -96.09 151.19 19.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 111.202 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.64 -12.92 55.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.178 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.11 150.83 41.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 159.99 38.6 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.95 35.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 111.149 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.31 105.28 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 176.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.44 117.1 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.91 110.76 1.26 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.405 ' C ' HD21 ' C' ' 34' ' ' LEU . 10.4 tt -125.63 127.44 46.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.165 -176.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.17 46.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.482 HG21 HG13 ' F' ' 36' ' ' VAL . 2.5 p -127.22 135.38 63.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.63 15.55 10.16 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.17 51.83 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.28 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.211 172.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.275 179.648 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.34 35.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.935 HD22 HG11 ' G' ' 36' ' ' VAL . 5.3 mp -123.89 135.53 53.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.06 125.38 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.3 116.54 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -98.02 124.92 42.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.74 117.72 16.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.73 130.88 23.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.209 174.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.94 117.33 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.93 120.11 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.79 73.57 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 172.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -96.03 151.15 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 111.199 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.65 -12.86 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.18 150.71 41.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.66 159.99 38.92 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.5 147.93 35.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.196 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.26 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.25 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.42 117.06 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.76 1.26 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' G' ' 34' ' ' LEU . 10.4 tt -125.64 127.44 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.192 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.25 135.36 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.69 15.61 10.06 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.2 51.75 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -175.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' G' ' 39' ' ' VAL . 90.7 t -114.32 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 111.161 172.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.284 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.84 0.353 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.7 142.36 35.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.417 HD22 HG11 ' H' ' 36' ' ' VAL . 5.3 mp -123.9 135.67 53.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.17 125.32 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.51 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.01 124.93 42.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.75 117.73 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.75 130.94 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.3 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.205 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -120.96 120.14 61.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.7 73.54 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 172.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.03 151.19 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.76 -12.79 55.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.144 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.19 150.7 41.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.233 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.62 159.91 38.91 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.48 147.97 35.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.178 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.2 105.19 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.238 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -116.36 117.02 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.246 -171.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.88 110.76 1.27 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.415 ' C ' HD21 ' E' ' 34' ' ' LEU . 10.4 tt -125.61 127.42 46.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 111.191 -176.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.13 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.419 HG11 HD22 ' B' ' 17' ' ' LEU . 2.5 p -127.29 135.35 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 15.51 10.14 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.92 -156.22 51.95 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.26 -56.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.189 172.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.834 0.349 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.86 142.3 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.566 HD22 HG11 ' I' ' 36' ' ' VAL . 5.3 mp -123.78 135.63 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -126.12 125.34 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.229 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.27 116.5 19.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.72 ' O ' ' HB1' ' I' ' 21' ' ' ALA . 53.7 t80 -98.05 125.04 42.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . 0.722 ' HB1' ' O ' ' C' ' 20' ' ' PHE . . . -134.8 117.82 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.94 23.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 174.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.97 117.25 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -120.83 120.07 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.205 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.25 27.62 73.53 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.522 ' O ' ' HA ' ' C' ' 26' ' ' SER . 39.9 t -95.98 151.18 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.714 0.292 . . . . 0.0 111.236 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.66 -12.89 55.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.78 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.76 160.03 38.76 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.55 148.01 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 111.159 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.33 105.17 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.44 117.12 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 -171.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.69 1.26 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.405 ' C ' HD21 ' F' ' 34' ' ' LEU . 10.4 tt -125.56 127.33 46.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 111.285 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.51 130.03 46.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.248 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.564 HG11 HD22 ' C' ' 17' ' ' LEU . 2.5 p -127.16 135.33 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.77 15.45 10.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.88 -156.14 51.89 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -114.31 -57.01 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 0.0 111.121 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.247 179.688 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.813 0.339 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.35 35.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -173.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.93 HD22 HG11 ' J' ' 36' ' ' VAL . 5.3 mp -123.85 135.64 53.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -126.2 125.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.21 116.57 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -98.11 124.96 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.78 117.73 16.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.69 130.94 23.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.233 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -122.0 117.3 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.82 120.06 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.17 27.67 73.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -95.98 151.12 19.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 111.277 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.62 -12.88 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.241 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.78 41.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.71 159.92 38.75 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 148.0 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 111.24 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 42.3 mm -101.28 105.27 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.44 117.1 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.98 110.78 1.26 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' J' ' 34' ' ' LEU . 10.4 tt -125.68 127.4 46.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 111.186 -176.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.13 46.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.935 HG11 HD22 ' D' ' 17' ' ' LEU . 2.5 p -127.33 135.32 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.55 10.07 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.93 -156.2 51.97 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' D' ' 39' ' ' VAL . 90.1 t -114.31 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 172.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 179.701 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.854 0.359 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.34 35.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -173.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.414 HD22 HG11 ' K' ' 36' ' ' VAL . 5.3 mp -123.91 135.65 53.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.14 125.36 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 174.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.28 116.53 19.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.08 125.05 42.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.77 117.84 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.98 117.24 25.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.205 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.82 120.14 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.18 27.73 73.55 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 172.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.06 151.21 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.0 111.186 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.69 -12.83 55.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.14 150.8 41.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.81 159.98 38.6 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 147.96 35.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 0.0 111.2 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.29 105.31 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.46 117.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.81 1.27 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.413 ' C ' HD21 ' H' ' 34' ' ' LEU . 10.4 tt -125.67 127.42 46.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 111.191 -176.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.62 130.13 46.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 176.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.417 HG11 HD22 ' E' ' 17' ' ' LEU . 2.5 p -127.29 135.31 63.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.59 10.07 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.2 51.72 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.31 -56.81 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 111.201 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.698 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.783 0.325 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.68 142.29 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 -173.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.568 HD22 HG11 ' L' ' 36' ' ' VAL . 5.3 mp -123.86 135.64 53.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.204 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -126.12 125.31 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 174.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.28 116.49 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -176.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . 0.717 ' O ' ' HB1' ' L' ' 21' ' ' ALA . 53.4 t80 -98.05 124.99 42.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . 0.72 ' HB1' ' O ' ' F' ' 20' ' ' PHE . . . -134.7 117.73 16.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.223 174.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.29 26.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.92 120.19 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 172.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 26' ' ' SER . . . . . 0.519 ' O ' ' HA ' ' F' ' 26' ' ' SER . 40.0 t -96.04 151.12 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.197 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.65 -12.89 55.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.11 150.76 41.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.74 159.96 38.74 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.43 147.97 35.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 111.217 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.35 105.27 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -116.45 117.16 54.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -171.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.95 110.78 1.26 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.408 HD21 ' C ' ' I' ' 34' ' ' LEU . 10.4 tt -125.66 127.35 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -176.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.56 130.14 46.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.183 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.566 HG11 HD22 ' F' ' 17' ' ' LEU . 2.5 p -127.27 135.32 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 15.68 10.02 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.77 -156.25 51.59 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -175.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.23 -56.87 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 111.194 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 179.69 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.742 0.306 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.67 142.34 35.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.923 HD22 HG11 ' M' ' 36' ' ' VAL . 5.3 mp -123.87 135.58 53.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.298 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -126.08 125.36 67.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.34 116.56 19.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.08 124.96 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.222 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.79 117.81 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.83 130.94 23.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.92 117.18 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.243 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -120.85 120.09 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.18 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -95.98 151.2 19.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.777 0.322 . . . . 0.0 111.235 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.68 -12.86 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.216 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.84 41.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.96 38.51 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.51 148.0 35.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.222 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.29 105.25 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -116.46 117.07 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 110.85 1.28 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.444 ' HA ' ' O ' ' M' ' 34' ' ' LEU . 10.4 tt -125.74 127.38 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 111.107 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.57 130.2 47.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.93 HG11 HD22 ' G' ' 17' ' ' LEU . 2.5 p -127.28 135.35 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.73 15.55 10.08 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.19 51.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.26 -56.94 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.16 172.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.735 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 120.861 0.362 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.73 142.25 35.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -173.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . 0.41 HD22 HG11 ' N' ' 36' ' ' VAL . 5.3 mp -123.84 135.62 53.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -126.13 125.31 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.49 19.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -98.08 124.88 42.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.68 117.8 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.77 130.87 23.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.199 174.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.92 117.2 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -120.81 120.16 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 27.68 73.54 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 172.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.04 151.21 19.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 111.214 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.7 -12.85 55.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.14 150.81 41.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.72 159.95 38.76 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 148.01 35.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 111.209 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.28 105.23 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.09 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.73 1.26 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.412 ' C ' HD21 ' K' ' 34' ' ' LEU . 10.4 tt -125.61 127.38 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 111.239 -176.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . 0.414 HG11 HD22 ' H' ' 17' ' ' LEU . 2.5 p -127.24 135.33 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.51 10.13 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.91 -156.17 51.95 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -175.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 90.0 t -114.32 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 111.246 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.81 142.25 35.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.567 HD22 HG11 ' O' ' 36' ' ' VAL . 5.3 mp -123.84 135.61 53.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.13 125.33 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.28 116.52 19.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . 0.717 ' O ' ' HB1' ' O' ' 21' ' ' ALA . 53.6 t80 -98.02 124.95 42.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . 0.717 ' HB1' ' O ' ' I' ' 20' ' ' PHE . . . -134.78 117.81 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.76 130.89 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.206 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.27 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -120.82 120.13 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.262 -175.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.21 27.63 73.53 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 26' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' O' ' 26' ' ' SER . 39.9 t -96.03 151.12 19.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 0.0 111.246 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.67 -12.79 55.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.89 41.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.88 159.99 38.47 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 147.98 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 111.207 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.37 116.97 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 110.82 1.28 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . 0.409 ' C ' HD21 ' L' ' 34' ' ' LEU . 10.4 tt -125.68 127.37 46.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.348 . . . . 0.0 111.192 -176.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.6 130.15 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . 0.568 HG11 HD22 ' I' ' 17' ' ' LEU . 2.5 p -127.2 135.35 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 15.57 10.11 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 -156.19 51.85 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.25 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 111.229 172.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.676 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 120.845 0.355 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.3 35.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . 0.915 HD22 HG11 ' P' ' 36' ' ' VAL . 5.3 mp -123.82 135.6 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -126.21 125.26 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.25 116.51 19.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.01 124.91 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 117.78 16.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.78 130.85 23.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 174.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.87 117.33 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 97.7 t -120.88 120.13 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.66 73.53 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 172.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -95.95 151.17 19.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.212 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.69 -12.89 55.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.1 150.89 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.98 38.54 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.98 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 111.27 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.27 105.28 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.49 117.15 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.91 110.76 1.26 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' J' ' 34' ' ' LEU . 10.4 tt -125.71 127.42 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.212 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . 0.923 HG11 HD22 ' J' ' 17' ' ' LEU . 2.5 p -127.26 135.39 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.62 15.66 10.07 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.8 -156.22 51.69 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.25 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.229 172.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.637 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.817 0.341 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.34 35.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . 0.404 HD22 HG11 ' Q' ' 36' ' ' VAL . 5.3 mp -123.82 135.62 53.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.18 125.25 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.25 116.54 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -176.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.03 124.88 42.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.69 117.81 16.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.91 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.97 117.29 26.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.85 120.12 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.229 -174.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.78 73.56 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.1 151.21 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.16 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.66 -12.87 55.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.79 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 160.02 38.73 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.54 148.02 35.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.197 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.22 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.37 117.11 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 -171.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.82 1.27 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.413 HD21 ' C ' ' N' ' 34' ' ' LEU . 10.4 tt -125.7 127.3 46.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 111.193 -176.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.48 130.14 47.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . 0.41 HG11 HD22 ' K' ' 17' ' ' LEU . 2.5 p -127.28 135.3 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.205 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.64 10.02 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.22 51.74 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.3 -56.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 179.676 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.887 0.375 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 142.27 35.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.266 -173.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . 0.566 HD22 HG11 ' R' ' 36' ' ' VAL . 5.3 mp -123.78 135.65 53.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.16 125.31 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.211 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.29 116.63 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . 0.718 ' O ' ' HB1' ' R' ' 21' ' ' ALA . 53.5 t80 -98.13 124.97 42.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . 0.717 ' HB1' ' O ' ' L' ' 20' ' ' PHE . . . -134.74 117.79 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.79 130.89 23.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.256 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.26 26.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.85 120.11 61.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.12 27.77 73.56 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 172.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 26' ' ' SER . . . . . 0.519 ' O ' ' HA ' ' L' ' 26' ' ' SER . 39.7 t -96.14 151.25 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.191 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.7 -12.88 55.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.82 41.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 159.93 38.65 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.41 148.0 35.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.228 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.33 105.23 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.07 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -171.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 110.76 1.27 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . 0.409 ' C ' HD21 ' O' ' 34' ' ' LEU . 10.4 tt -125.68 127.4 46.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 111.241 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.05 46.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . 0.567 HG11 HD22 ' L' ' 17' ' ' LEU . 2.5 p -127.2 135.41 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.178 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.63 15.62 10.1 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.79 -156.25 51.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.24 -56.95 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.186 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.251 179.651 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.74 142.31 35.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.285 -173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.906 HD22 HG11 ' S' ' 36' ' ' VAL . 5.3 mp -123.86 135.58 53.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.1 125.28 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 174.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.26 116.56 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.07 124.95 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.69 117.74 16.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.26 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.79 130.85 23.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.19 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.86 117.27 26.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.244 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.89 120.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -96.01 151.15 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.59 -12.86 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.18 150.85 41.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.78 159.94 38.64 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.44 147.96 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.3 105.28 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.48 117.01 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.186 -171.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 110.82 1.28 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' S' ' 34' ' ' LEU . 10.4 tt -125.68 127.41 46.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.17 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.11 46.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . 0.915 HG11 HD22 ' M' ' 17' ' ' LEU . 2.5 p -127.24 135.45 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.61 15.53 10.19 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.95 -156.22 51.99 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' S' ' 39' ' ' VAL . 90.4 t -114.28 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.192 172.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 179.665 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.34 35.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.79 135.6 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.07 125.21 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.22 116.57 20.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.205 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.09 124.93 42.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.67 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.27 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.72 130.88 23.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.23 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.88 120.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.05 27.81 73.57 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.11 151.2 19.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.871 0.367 . . . . 0.0 111.137 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.72 -12.8 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.275 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.85 41.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.184 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.91 159.99 38.43 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 148.01 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.758 0.313 . . . . 0.0 111.212 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.43 117.05 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.182 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 110.76 1.27 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . 0.414 HD21 ' C ' ' Q' ' 34' ' ' LEU . 10.4 tt -125.65 127.4 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.735 0.303 . . . . 0.0 111.184 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.66 130.09 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . 0.404 HG11 HD22 ' N' ' 17' ' ' LEU . 2.5 p -127.17 135.33 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.74 15.6 10.04 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.18 51.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.29 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 111.208 172.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.72 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.794 0.331 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.67 142.31 35.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . 0.566 HD22 HG11 ' U' ' 36' ' ' VAL . 5.3 mp -123.84 135.63 53.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.12 125.29 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.56 20.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . 0.718 ' O ' ' HB1' ' U' ' 21' ' ' ALA . 54.0 t80 -98.08 124.88 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . 0.718 ' HB1' ' O ' ' O' ' 20' ' ' PHE . . . -134.68 117.82 16.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.92 117.27 26.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.92 120.18 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.08 27.74 73.55 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 172.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 26' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' O' ' 26' ' ' SER . 39.6 t -96.12 151.23 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.72 -12.81 55.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.21 150.8 41.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.74 159.99 38.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.97 35.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.825 0.345 . . . . 0.0 111.235 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.32 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.42 117.14 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.93 110.74 1.26 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . 0.414 HD21 ' C ' ' R' ' 34' ' ' LEU . 10.4 tt -125.66 127.35 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 111.163 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.17 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . 0.566 HG11 HD22 ' O' ' 17' ' ' LEU . 2.5 p -127.24 135.25 64.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.58 10.04 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 -156.24 51.82 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -175.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.21 -56.86 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.265 172.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.198 -1.621 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.719 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.813 0.339 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.75 142.38 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.898 HD22 HG11 ' V' ' 36' ' ' VAL . 5.3 mp -123.87 135.6 53.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.08 125.33 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.35 116.56 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 -176.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.01 125.0 42.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.82 117.79 16.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.75 130.88 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.226 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.94 117.26 26.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.215 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 97.9 t -120.85 120.17 61.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 172.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.09 151.23 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.17 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.69 -12.84 55.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.16 150.8 41.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.208 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.99 38.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.51 148.06 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.36 105.22 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.42 117.05 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.86 110.78 1.27 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' V' ' 34' ' ' LEU . 10.4 tt -125.63 127.41 46.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.193 -176.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.09 46.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 36' ' ' VAL . . . . . 0.906 HG11 HD22 ' P' ' 17' ' ' LEU . 2.5 p -127.2 135.41 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.61 15.56 10.17 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.21 51.73 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' V' ' 39' ' ' VAL . 89.6 t -114.24 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.166 172.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.721 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.74 142.36 35.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 17' ' ' LEU . . . . . 0.405 HD22 HG11 ' W' ' 36' ' ' VAL . 5.3 mp -123.9 135.63 53.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.15 125.35 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.3 116.52 19.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -98.06 124.89 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.86 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.199 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.94 117.35 26.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 99.3 t -120.91 120.16 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.74 73.55 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 172.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.07 151.19 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.177 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.72 -12.8 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.16 150.84 41.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.75 159.95 38.69 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.45 148.01 35.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.244 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.19 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.207 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.36 117.02 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -171.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.85 110.78 1.27 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 34' ' ' LEU . . . . . 0.414 ' C ' HD21 ' T' ' 34' ' ' LEU . 10.4 tt -125.62 127.45 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.254 -176.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.61 130.06 46.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.18 135.34 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.68 15.61 10.07 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.17 51.78 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.23 -56.97 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 111.275 172.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.258 179.626 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.771 0.319 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.35 35.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.201 -173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 17' ' ' LEU . . . . . 0.565 HD22 HG11 ' X' ' 36' ' ' VAL . 5.3 mp -123.83 135.56 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -126.13 125.4 67.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.184 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.32 116.6 20.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 20' ' ' PHE . . . . . 0.715 ' O ' ' HB1' ' X' ' 21' ' ' ALA . 53.5 t80 -98.07 124.95 42.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.205 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 21' ' ' ALA . . . . . 0.718 ' HB1' ' O ' ' R' ' 20' ' ' PHE . . . -134.74 117.79 16.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.8 130.91 23.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.97 117.24 25.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -120.87 120.18 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.7 73.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 26' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' X' ' 26' ' ' SER . 39.8 t -96.09 151.19 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 0.0 111.192 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.74 -12.76 55.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.16 150.83 41.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.88 159.99 38.49 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.48 147.96 35.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 111.213 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.34 105.33 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.05 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -171.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.75 1.26 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 34' ' ' LEU . . . . . 0.415 ' C ' HD21 ' U' ' 34' ' ' LEU . 10.4 tt -125.7 127.37 46.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.24 -176.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.11 46.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 36' ' ' VAL . . . . . 0.566 HG11 HD22 ' R' ' 17' ' ' LEU . 2.5 p -127.27 135.31 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 178.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.46 10.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.84 -156.21 51.77 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.19 -56.9 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 172.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.738 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.75 0.31 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 142.29 35.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 17' ' ' LEU . . . . . 0.905 HD22 HG11 ' Y' ' 36' ' ' VAL . 5.3 mp -123.83 135.63 53.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.15 125.39 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 174.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.29 116.52 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.233 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.06 124.94 42.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.72 117.78 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.94 23.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.96 117.33 26.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.92 120.17 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -174.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 172.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.01 151.16 19.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.75 -12.74 55.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.196 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.82 41.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.79 159.98 38.65 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.56 147.96 35.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 111.203 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.23 105.27 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.242 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.44 117.07 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 -171.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.72 1.26 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 34' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' S' ' 34' ' ' LEU . 10.4 tt -125.64 127.45 46.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 111.239 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.62 130.1 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 36' ' ' VAL . . . . . 0.898 HG11 HD22 ' S' ' 17' ' ' LEU . 2.5 p -127.19 135.3 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.73 15.59 10.05 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.85 -156.16 51.84 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 39' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' Y' ' 39' ' ' VAL . 89.2 t -114.3 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 111.195 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.191 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.773 0.321 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.76 142.34 35.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 17' ' ' LEU . . . . . 0.411 HD22 HG11 ' Z' ' 36' ' ' VAL . 5.3 mp -123.88 135.52 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -126.06 125.24 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.216 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.26 116.55 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 -176.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -98.05 124.88 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 117.8 16.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.78 130.87 23.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.89 117.23 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.85 120.17 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.11 27.74 73.55 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 172.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.11 151.24 19.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.71 -12.86 55.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.2 150.75 41.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.76 159.99 38.72 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.98 35.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.28 105.24 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.43 117.1 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -171.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.79 1.27 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 34' ' ' LEU . . . . . 0.413 ' C ' HD21 ' W' ' 34' ' ' LEU . 10.4 tt -125.62 127.36 46.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.234 -176.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.07 46.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 36' ' ' VAL . . . . . 0.405 HG11 HD22 ' T' ' 17' ' ' LEU . 2.5 p -127.24 135.33 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.68 15.61 10.07 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.84 -156.16 51.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.33 -56.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 0.0 111.206 172.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 179.647 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.746 0.308 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.33 35.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.246 -173.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.563 HD22 HG11 ' A' ' 36' ' ' VAL . 5.3 mp -123.86 135.57 53.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.27 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -126.08 125.34 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.51 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . 0.712 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 53.8 t80 -98.02 124.9 42.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' ALA . . . . . 0.715 ' HB1' ' O ' ' U' ' 20' ' ' PHE . . . -134.65 117.75 16.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.308 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.87 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.163 174.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.88 117.18 25.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.25 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 96.7 t -120.77 120.16 61.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 -175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 27.63 73.52 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 26' ' ' SER . . . . . 0.518 ' HA ' ' O ' ' A' ' 26' ' ' SER . 40.0 t -95.91 151.19 19.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.762 0.315 . . . . 0.0 111.215 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.71 -12.91 55.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.12 150.78 41.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.86 160.01 38.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.93 35.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 111.181 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.15 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.34 117.09 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -171.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.77 1.27 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 34' ' ' LEU . . . . . 0.415 ' C ' HD21 ' X' ' 34' ' ' LEU . 10.4 tt -125.69 127.38 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 111.222 -176.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.17 47.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 36' ' ' VAL . . . . . 0.565 HG11 HD22 ' U' ' 17' ' ' LEU . 2.5 p -127.27 135.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.68 10.02 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.19 51.73 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.26 -56.87 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.251 179.656 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.777 0.322 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.75 142.34 35.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.259 -173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 17' ' ' LEU . . . . . 0.914 HD22 HG11 ' A' ' 36' ' ' VAL . 5.3 mp -123.89 135.6 53.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.1 125.37 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.29 116.55 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.05 124.85 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.82 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.14 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.77 130.92 23.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.246 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.96 117.24 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -120.88 120.13 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.2 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.05 151.18 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 111.159 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.66 -12.9 55.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.03 150.76 41.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.285 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 160.0 38.71 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 147.99 35.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 111.186 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.24 105.26 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -116.45 117.12 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -171.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.76 1.26 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 34' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 10.4 tt -125.64 127.42 46.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 -176.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.57 130.12 46.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 36' ' ' VAL . . . . . 0.905 HG11 HD22 ' V' ' 17' ' ' LEU . 2.5 p -127.24 135.3 63.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.62 10.08 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.89 -156.26 51.86 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -175.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 39' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' VAL . 89.5 t -114.24 -56.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 111.196 172.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 91.3 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 179.67 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.834 0.35 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.32 35.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 -173.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.84 135.64 53.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.1 125.37 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.34 116.56 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.167 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.01 124.94 42.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.237 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.75 117.77 16.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.76 131.0 23.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.99 117.28 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.2 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.86 120.17 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 172.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.05 151.24 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.239 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.73 -12.91 55.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.1 150.86 41.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 159.99 38.61 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.94 35.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 111.183 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.24 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.41 117.14 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.79 1.27 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 34' ' ' LEU . . . . . 0.415 ' C ' HD21 ' Z' ' 34' ' ' LEU . 10.4 tt -125.63 127.38 46.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.61 130.13 46.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 36' ' ' VAL . . . . . 0.411 HG11 HD22 ' W' ' 17' ' ' LEU . 2.5 p -127.27 135.38 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 15.49 10.16 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.88 -156.21 51.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.23 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 111.234 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.743 0.306 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.77 142.35 35.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.221 -173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.89 135.57 53.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.14 125.36 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.32 116.47 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.198 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -97.97 124.97 42.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.72 117.7 16.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.8 130.96 23.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.95 117.23 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.236 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.88 120.22 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -174.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.04 27.78 73.56 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.06 151.26 19.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.354 . . . . 0.0 111.168 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.75 -12.84 55.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.78 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.8 160.01 38.66 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.49 148.0 35.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.184 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.33 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -116.44 117.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.8 1.27 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tt -125.62 127.44 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.15 -176.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.69 130.13 46.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.21 135.31 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.57 10.09 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.77 -156.2 51.63 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.25 -56.9 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 111.206 172.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.191 179.705 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.564 ' HA ' ' OE1' ' A' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.844 0.354 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.19 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD21 HD13 ' X' ' 17' ' ' LEU . 45.6 tp -129.43 118.38 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 176.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -127.42 128.74 70.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.09 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.239 -175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.59 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 173.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.22 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.42 115.95 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.91 99.21 5.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.69 125.97 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.201 -174.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.75 72.83 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 173.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.19 150.53 21.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.176 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -90.23 -3.5 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.86 158.33 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.37 11.7 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.39 21.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 111.2 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.2 125.61 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 170.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.66 122.96 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.162 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.72 107.92 0.95 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 173.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HB2' HD23 ' Y' ' 34' ' ' LEU . 39.0 mt -112.09 123.92 51.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 111.18 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.43 126.16 41.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.6 t -112.27 121.34 64.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 177.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.61 46.5 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.75 -149.8 26.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.27 119.87 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.195 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 -176.218 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.573 ' HA ' ' OE1' ' B' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.838 0.351 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.05 34.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 tp -129.39 118.43 22.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.219 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.1 t -127.37 128.75 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.1 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.44 111.5 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 173.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.23 14.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.239 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.49 115.95 31.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.95 99.25 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.66 125.99 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.229 -174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.75 72.82 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -98.21 150.52 21.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 111.263 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.23 -3.54 57.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.195 176.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.34 44.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.93 -141.31 11.66 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -171.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.15 151.35 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.22 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.11 125.62 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 170.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.72 122.96 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -169.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.9 0.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -112.04 123.92 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 111.215 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.43 126.26 42.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.168 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 82.9 t -112.29 121.29 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.55 46.48 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.65 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.35 119.88 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.176 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -176.178 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.576 ' HA ' ' OE1' ' C' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.783 0.325 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.08 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.4 HD13 HD21 ' F' ' 17' ' ' LEU . 45.7 tp -129.46 118.44 22.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.257 176.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -127.39 128.74 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.252 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.34 121.09 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -175.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.53 111.47 23.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 173.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.24 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.39 115.9 31.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.92 99.26 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.69 125.93 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.251 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.66 72.89 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.16 150.56 21.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.2 -3.57 57.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.213 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.91 158.36 44.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.233 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.94 -141.34 11.68 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -171.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.32 21.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.15 125.62 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.242 170.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.62 122.95 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.236 -169.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.7 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.09 123.95 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.155 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.51 126.15 41.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.16 121.27 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.254 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.91 139.61 46.56 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.69 25.89 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.33 119.85 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.241 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 -176.113 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' D' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.13 34.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.5 22.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.47 128.75 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.37 121.04 32.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.39 111.51 23.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.262 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.28 106.25 14.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.98 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.211 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.96 99.29 5.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.76 125.92 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.75 72.83 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.17 150.55 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 111.221 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.29 -3.5 57.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.4 44.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.99 -141.3 11.63 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.38 21.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.19 125.54 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.59 122.95 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.241 -169.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.91 0.95 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.416 HD23 ' HB2' ' G' ' 34' ' ' LEU . 39.3 mt -112.09 123.99 51.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.52 126.27 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.3 121.32 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.98 139.53 46.42 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.65 -149.72 25.94 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -113.38 119.95 62.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.219 -176.176 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.575 ' HA ' ' OE1' ' E' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.816 0.341 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.6 123.16 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.42 118.48 22.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.48 128.85 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.38 121.02 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.38 111.55 24.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.275 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.22 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.45 115.91 31.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.87 99.23 5.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.67 125.97 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.212 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.89 28.66 72.87 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 173.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.1 150.56 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 111.234 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.31 -3.49 57.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.181 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.28 44.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.26 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.88 -141.32 11.68 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.11 151.32 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 111.228 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -118.09 125.6 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 170.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 122.94 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.96 0.96 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 mt -112.13 123.97 51.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 111.236 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.53 126.27 41.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 82.4 t -112.32 121.37 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.97 139.56 46.44 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.67 25.87 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.35 119.93 62.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.34 . . . . 0.0 111.172 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -176.136 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.574 ' HA ' ' OE1' ' F' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.815 0.341 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.49 123.1 35.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.243 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.4 HD21 HD13 ' C' ' 17' ' ' LEU . 45.6 tp -129.39 118.4 22.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 75.1 t -127.35 128.71 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.12 33.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.49 111.58 24.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.29 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.98 31.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.199 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.87 99.21 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -128.71 125.98 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.65 72.9 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.1 150.59 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.221 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.31 -3.51 57.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.37 44.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.28 11.61 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -171.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.32 21.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.211 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.15 125.62 74.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 170.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.65 122.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.94 0.95 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 38.7 mt -112.08 123.85 51.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 111.234 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.4 126.22 42.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.255 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.25 121.28 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.195 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.9 139.53 46.54 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.69 -149.71 25.92 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.27 119.88 61.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 -176.269 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.569 ' HA ' ' OE1' ' G' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.851 0.357 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.56 123.06 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.46 118.51 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.45 128.75 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.255 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.0 32.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.5 23.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.22 106.17 14.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.38 115.9 31.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.219 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.85 99.24 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -128.72 125.9 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.18 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 28.65 72.87 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.09 150.64 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.2 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.33 -3.54 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.98 158.31 44.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.92 -141.33 11.68 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.36 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 111.241 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.17 125.57 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.211 170.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.59 123.0 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 107.94 0.95 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' J' ' 34' ' ' LEU . 39.1 mt -112.14 123.93 51.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 111.178 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.49 126.17 41.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 82.8 t -112.22 121.22 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.88 139.61 46.61 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.77 -149.66 25.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 79.3 t -113.37 119.88 61.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.132 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.199 -1.604 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.262 -176.28 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.576 ' HA ' ' OE1' ' H' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.55 123.06 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.193 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 tp -129.39 118.52 22.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 76.2 t -127.47 128.73 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 121.14 33.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.44 111.51 23.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.29 106.13 14.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.38 115.84 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.283 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.83 99.33 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -128.74 125.95 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.79 28.62 72.95 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.56 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 111.188 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.18 -3.65 57.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.78 158.41 44.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.219 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.03 -141.33 11.65 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -171.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.34 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.13 125.68 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 170.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.72 122.99 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -170.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.69 107.87 0.95 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 173.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.07 123.85 51.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.231 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.42 126.21 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.2 121.31 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.6 46.59 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.75 25.97 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 78.8 t -113.35 119.93 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.507 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.199 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.575 ' HA ' ' OE1' ' I' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.855 0.36 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.49 123.09 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.217 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.401 HD13 HD21 ' L' ' 17' ' ' LEU . 45.5 tp -129.47 118.48 22.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 176.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.37 128.72 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.262 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.03 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.257 -175.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.55 24.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.264 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.26 14.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.48 115.82 31.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.81 99.22 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.76 125.94 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -174.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.79 28.73 72.87 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.17 150.56 21.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.33 -3.43 57.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.4 44.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.35 11.67 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.29 21.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.236 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.16 125.68 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 170.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.63 122.94 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.245 -170.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.9 0.95 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.09 123.96 51.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 111.195 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.45 126.17 41.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 81.1 t -112.11 121.31 64.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.01 139.56 46.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.66 -149.7 25.91 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.28 119.92 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.141 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.201 -1.466 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -176.251 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . 0.566 ' HA ' ' OE1' ' J' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.13 35.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.49 118.49 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 74.5 t -127.41 128.73 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.03 32.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.51 23.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.29 106.26 14.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.89 31.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.92 99.27 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 92.5 t -128.7 125.94 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -174.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.87 28.61 72.92 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.09 150.56 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.193 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.22 -3.57 57.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.22 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.87 158.36 44.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.35 11.66 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -171.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.34 21.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.16 125.63 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 170.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 123.07 70.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -169.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.96 0.95 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' M' ' 34' ' ' LEU . 39.3 mt -112.12 123.99 51.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 64.9 ttp -127.54 126.24 41.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 82.2 t -112.26 121.22 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.84 139.59 46.67 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.68 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 77.8 t -113.26 119.92 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 0.0 111.19 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -176.182 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.575 ' HA ' ' OE1' ' K' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.56 123.08 34.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.215 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.43 118.43 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.206 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.46 128.78 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.04 32.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.39 111.52 23.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.32 106.26 14.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.9 31.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.9 99.26 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.211 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.7 125.94 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.287 -174.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.72 72.82 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 173.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.18 150.54 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 111.196 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.22 -3.6 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.94 158.31 44.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.87 -141.4 11.74 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -171.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.42 21.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 111.22 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.23 125.64 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.69 123.02 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 107.91 0.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 39.4 mt -112.1 123.92 51.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.134 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.21 42.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.21 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 82.4 t -112.25 121.35 64.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.06 139.61 46.33 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.68 -149.67 25.86 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.3 119.91 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.181 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.207 -176.196 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' L' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.876 0.37 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.13 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.401 HD21 HD13 ' I' ' 17' ' ' LEU . 45.5 tp -129.44 118.52 22.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 176.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -127.52 128.79 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.42 121.05 32.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.43 111.51 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.31 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.52 115.97 31.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.96 99.29 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.73 125.94 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.25 -174.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.7 72.87 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.56 21.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.768 0.318 . . . . 0.0 111.233 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.22 -3.56 57.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.34 44.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.88 -141.34 11.69 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -171.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.18 151.29 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 111.193 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.07 125.59 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 170.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.6 122.99 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.9 0.95 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.11 123.89 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.25 42.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.192 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 82.3 t -112.21 121.39 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.02 139.61 46.39 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.76 -149.77 25.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.23 119.93 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 111.2 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -176.222 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . 0.563 ' HA ' ' OE1' ' M' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.784 0.326 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.06 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.48 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.38 128.73 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.221 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.31 121.03 32.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.53 24.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.19 106.22 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.46 115.91 31.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.82 99.28 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.74 125.98 64.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.68 72.89 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 173.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.13 150.53 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 111.191 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.15 -3.59 57.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.35 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 -141.34 11.69 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -171.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.1 151.41 21.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 0.0 111.248 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.16 125.67 74.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 170.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.63 122.92 70.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -169.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.75 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' P' ' 34' ' ' LEU . 38.9 mt -112.07 123.95 51.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 111.191 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.49 126.29 41.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 82.1 t -112.29 121.32 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.61 46.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.78 -149.7 25.89 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.27 119.89 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 111.223 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.246 -176.248 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . 0.575 ' HA ' ' OE1' ' N' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.787 0.327 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.59 123.1 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.206 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.38 118.44 22.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.213 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.39 128.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.228 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.41 121.04 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.167 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.53 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 173.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.25 14.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.96 31.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.93 99.32 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.7 125.92 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.77 72.82 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.19 150.51 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.18 -3.56 57.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.4 44.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.01 -141.29 11.62 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -171.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.18 151.41 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 111.169 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.19 125.61 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.54 123.04 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.233 -170.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.76 107.95 0.95 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.15 123.92 51.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 111.188 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.46 126.21 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.212 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.23 121.28 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.91 139.56 46.54 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.75 -149.72 25.92 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 77.9 t -113.28 119.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.183 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.199 -1.585 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.227 -176.212 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' O' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.61 123.12 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . 0.401 HD13 HD21 ' R' ' 17' ' ' LEU . 45.8 tp -129.44 118.44 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.48 128.84 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.44 121.04 32.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.5 111.58 24.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.205 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.23 14.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.214 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.49 115.99 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.91 99.25 5.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.197 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.69 125.9 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 28.74 72.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 173.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.18 150.54 21.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.684 0.278 . . . . 0.0 111.234 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.13 -3.68 57.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.253 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.84 158.31 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 -141.33 11.68 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -171.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.17 151.32 21.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.14 125.6 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 170.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.66 122.96 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 -169.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 107.93 0.95 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 mt -112.02 123.9 51.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.781 0.324 . . . . 0.0 111.224 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.43 126.24 42.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.236 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.17 121.28 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 139.62 46.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.77 -149.71 25.9 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.29 119.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 111.184 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.265 -176.241 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . 0.561 ' HA ' ' OE1' ' P' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.51 123.09 35.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 tp -129.48 118.38 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.231 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.42 128.82 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.199 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.37 120.99 32.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.42 111.5 23.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.245 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.16 106.2 14.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.93 31.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.204 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.88 99.14 5.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.73 125.93 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.192 -174.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.78 72.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 173.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.16 150.52 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.324 . . . . 0.0 111.203 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.26 -3.51 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.225 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.36 44.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.36 11.69 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.31 21.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 111.209 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.12 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.65 122.93 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.173 -169.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.88 0.95 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' S' ' 34' ' ' LEU . 39.0 mt -112.06 123.9 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 111.211 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.22 42.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -112.27 121.36 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.99 139.64 46.46 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.74 -149.72 25.92 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 78.0 t -113.32 119.91 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.212 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -176.195 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . 0.575 ' HA ' ' OE1' ' Q' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.848 0.356 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.12 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.201 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.49 118.52 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -127.47 128.76 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.4 121.0 32.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 -175.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.36 111.48 23.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.252 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.34 14.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.57 115.96 31.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.88 99.21 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.232 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.67 125.89 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.91 28.67 72.84 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.19 150.56 21.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 111.153 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.24 -3.52 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.36 44.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.0 -141.33 11.66 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -171.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.3 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 111.23 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.17 125.66 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 170.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.61 122.99 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 -169.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.89 0.95 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.05 123.94 51.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 111.162 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.5 126.22 41.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.255 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 85.1 t -112.32 121.28 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 139.56 46.61 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.76 -149.76 25.97 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.26 119.92 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 111.248 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -176.145 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . 0.571 ' HA ' ' OE1' ' R' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.809 0.338 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.61 123.11 34.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . 0.401 HD21 HD13 ' O' ' 17' ' ' LEU . 45.7 tp -129.42 118.49 22.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.209 176.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.48 128.8 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.42 121.03 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.156 -175.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.4 111.52 23.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.29 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.46 115.85 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 175.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.84 99.28 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.71 125.92 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -174.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 28.74 72.84 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.18 150.56 21.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 111.258 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -90.22 -3.57 57.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.37 44.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.97 -141.36 11.69 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -171.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.06 151.36 21.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.14 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.16 125.58 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.249 170.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.58 123.06 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -169.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.84 107.92 0.94 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 39.0 mt -112.09 123.94 51.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.196 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.52 126.24 41.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.3 121.36 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.98 139.58 46.44 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.71 -149.72 25.93 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.32 119.85 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 111.247 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.2 -1.534 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -176.162 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' S' S ' 15' ' ' GLN . . . . . 0.56 ' HA ' ' OE1' ' S' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.6 123.12 34.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.237 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.4 118.55 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.51 128.72 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.08 32.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.195 -175.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.53 24.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 173.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.34 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.56 115.96 31.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.83 99.25 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -128.73 125.98 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -174.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.7 72.84 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -98.24 150.56 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.176 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.19 -3.52 57.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.94 158.32 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.98 -141.39 11.71 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -171.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.06 151.38 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 111.182 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.19 125.64 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 170.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.67 122.98 70.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -169.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.81 107.94 0.95 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' V' ' 34' ' ' LEU . 39.1 mt -112.07 123.92 51.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.786 0.326 . . . . 0.0 111.188 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.48 126.2 41.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 83.6 t -112.25 121.22 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.83 139.53 46.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.73 -149.71 25.92 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 76.7 t -113.32 119.92 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 111.26 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 -176.122 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' T' T ' 15' ' ' GLN . . . . . 0.573 ' HA ' ' OE1' ' T' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.55 123.05 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.236 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.48 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 74.2 t -127.4 128.76 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.231 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.38 121.0 32.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.267 -175.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.37 111.49 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.22 106.3 14.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.204 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.55 115.9 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.22 175.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.82 99.25 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.253 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.69 125.92 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.68 72.88 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.2 150.55 21.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.233 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.13 -3.66 57.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.231 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.8 158.36 44.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.91 -141.36 11.71 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -171.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.08 151.31 21.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 111.218 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.12 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.231 170.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.57 123.05 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.247 -170.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.91 0.95 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.05 123.92 51.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.47 126.23 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 83.4 t -112.2 121.26 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.62 46.5 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.74 -149.72 25.93 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.28 119.9 61.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.773 0.321 . . . . 0.0 111.236 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -176.217 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' U' U ' 15' ' ' GLN . . . . . 0.569 ' HA ' ' OE1' ' U' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.809 0.338 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.5 123.06 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 17' ' ' LEU . . . . . 0.402 HD13 HD21 ' X' ' 17' ' ' LEU . 45.5 tp -129.36 118.5 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 176.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.5 128.72 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.218 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.35 120.99 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.36 111.52 23.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.264 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.28 14.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.95 31.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.89 99.3 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.8 125.89 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 -174.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.93 28.72 72.8 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.22 150.55 21.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.23 -3.6 57.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.4 44.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.37 11.68 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -171.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.05 151.4 21.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.782 0.325 . . . . 0.0 111.229 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.18 125.62 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.63 123.0 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -169.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.14 123.96 51.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.353 . . . . 0.0 111.183 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.5 126.26 41.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.29 121.3 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 139.61 46.63 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.8 -149.66 25.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 77.3 t -113.29 119.88 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -176.179 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' V' V ' 15' ' ' GLN . . . . . 0.557 ' HA ' ' OE1' ' V' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.1 34.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.32 118.49 22.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 75.6 t -127.5 128.79 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.01 32.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.244 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.48 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.2 106.21 14.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.271 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.48 115.84 31.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.174 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.87 99.3 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.79 125.89 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.86 28.72 72.84 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.52 21.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.314 . . . . 0.0 111.205 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.26 -3.41 57.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.2 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.95 158.36 44.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.3 11.64 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.16 151.36 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.19 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 97.3 mt -118.18 125.64 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 170.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 122.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -169.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.74 107.95 0.95 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 34' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' S' ' 34' ' ' LEU . 39.3 mt -112.08 123.91 51.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.229 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.49 126.23 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 83.3 t -112.24 121.28 64.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.211 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.88 139.6 46.61 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.78 -149.83 26.07 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.18 119.85 61.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 111.254 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -176.218 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' W' W ' 15' ' ' GLN . . . . . 0.57 ' HA ' ' OE1' ' W' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.728 0.299 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.61 123.09 34.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 tp -129.36 118.41 22.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 76.0 t -127.41 128.79 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.31 121.09 32.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.5 23.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 173.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.3 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.52 115.9 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.85 99.3 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.75 125.91 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.258 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.8 72.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.21 150.5 21.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.345 . . . . 0.0 111.172 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.16 -3.63 57.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.206 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.88 158.38 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.28 11.63 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.15 151.39 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.22 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.22 125.54 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 170.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.64 122.98 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.7 107.95 0.95 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 173.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.1 123.88 51.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.748 0.309 . . . . 0.0 111.209 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.42 126.29 42.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -112.33 121.3 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.64 46.61 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 77.2 t -113.26 119.89 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 111.234 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -176.204 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' GLN . . . . . 0.567 ' HA ' ' OE1' ' X' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.48 123.1 35.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.402 HD21 HD13 ' U' ' 17' ' ' LEU . 45.7 tp -129.39 118.49 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 176.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -127.52 128.75 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 120.96 32.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.187 -175.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.32 111.44 23.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.264 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.21 106.26 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.229 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.44 115.91 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.94 99.26 5.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.72 125.93 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.21 -174.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.7 72.84 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.21 150.57 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.207 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.19 -3.57 57.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.88 158.41 44.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.05 -141.37 11.67 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -171.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.05 151.34 21.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 111.24 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.14 125.64 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.68 123.01 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 -169.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.76 107.88 0.95 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 173.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.03 123.93 51.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 111.213 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 64.9 ttp -127.55 126.29 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -112.22 121.31 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.132 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 139.56 46.53 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.66 -149.74 25.96 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.29 119.92 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.201 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -176.228 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Y' Y ' 15' ' ' GLN . . . . . 0.556 ' HA ' ' OE1' ' Y' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.924 0.393 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.13 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 tp -129.46 118.41 22.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.38 128.72 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.237 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 121.0 32.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.6 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.28 106.27 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.47 115.88 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.85 99.27 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.76 125.94 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -174.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 28.74 72.84 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 173.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.11 150.56 21.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.192 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.25 -3.57 57.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.4 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.205 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.03 -141.33 11.65 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -171.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.39 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 111.273 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -118.19 125.63 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 170.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.67 123.07 70.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 107.98 0.95 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 34' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' V' ' 34' ' ' LEU . 38.9 mt -112.11 123.91 51.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.334 . . . . 0.0 111.195 -178.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.47 126.2 41.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.2 121.34 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.9 139.5 46.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.75 25.97 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 77.5 t -113.24 119.87 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.23 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.145 -176.172 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Z' Z ' 15' ' ' GLN . . . . . 0.566 ' HA ' ' OE1' ' Z' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.852 0.358 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.57 123.11 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.39 118.44 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.233 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -127.43 128.73 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.05 32.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.219 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.59 24.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.33 106.24 14.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.44 115.86 31.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.228 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.86 99.34 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.209 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.79 125.9 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 -174.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.73 72.86 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.14 150.62 21.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.737 0.303 . . . . 0.0 111.193 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.29 -3.55 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.38 44.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.29 11.64 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -171.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.35 21.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.21 125.68 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 170.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.66 122.97 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.99 0.95 Allowed Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 mt -112.09 123.95 51.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.52 126.15 41.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.224 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.19 121.28 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.81 139.56 46.71 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.7 -149.77 25.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.27 119.93 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.272 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -176.112 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.82 0.343 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.56 123.13 35.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 tp -129.39 118.46 22.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.24 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.47 128.78 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.41 121.04 32.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.37 111.57 24.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.33 106.19 14.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.37 115.94 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.94 99.28 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 93.0 t -128.71 125.92 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.75 72.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 173.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.24 150.61 21.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 111.13 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.27 -3.55 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.166 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.86 158.37 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.36 11.69 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -171.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.14 151.29 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.13 125.62 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.196 170.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.65 122.97 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.74 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.09 123.99 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.185 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.48 126.13 41.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.264 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.2 121.34 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.97 139.57 46.45 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.72 25.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.33 119.88 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.196 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.255 -176.226 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.807 0.337 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.49 126.46 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.209 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.05 131.23 54.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.54 106.92 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.191 175.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.0 19.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -170.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.9 124.78 53.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 175.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.59 17.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.91 26.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.43 110.14 19.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.9 t -121.01 117.9 54.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 -172.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.72 3.15 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 170.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 t -136.92 147.58 46.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.191 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.97 -15.29 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.256 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -131.0 154.55 48.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.68 42.54 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.25 162.52 12.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.173 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.71 113.02 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.55 108.92 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.17 136.01 8.14 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.52 133.65 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 111.261 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.05 176.26 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 172.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -108.66 -61.22 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.175 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.81 25.38 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.29 16.12 65.22 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.26 153.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 111.226 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.213 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.44 126.33 22.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.91 131.22 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.63 106.82 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.22 111.03 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.216 -170.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.92 124.81 53.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.62 17.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.241 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.4 136.84 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.42 110.19 19.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 81.0 t -121.0 117.88 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.257 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.51 62.69 3.16 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.82 147.55 46.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.9 -15.5 58.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.82 154.67 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.67 42.51 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.23 162.64 12.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.345 . . . . 0.0 111.155 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -100.75 113.03 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.55 108.88 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 -173.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.07 8.18 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.441 HD13 HD21 ' E' ' 34' ' ' LEU . 39.6 tp -129.52 133.72 47.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 173.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.17 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -108.69 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.81 25.37 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.37 16.05 65.19 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -79.29 153.43 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.194 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.245 179.166 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.41 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.94 131.16 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -105.55 106.85 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.29 110.98 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 -170.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.96 124.87 53.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.157 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.64 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.88 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.219 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.47 110.25 19.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 83.9 t -121.05 117.98 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 -172.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.45 62.76 3.14 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.82 147.59 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 0.0 111.183 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.08 -15.32 58.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.88 154.63 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.65 42.49 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.68 12.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 0.0 111.229 -177.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.81 113.0 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.52 108.98 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.08 8.18 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.56 133.67 47.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 173.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.22 9.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -108.65 -61.17 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.27 -165.92 25.35 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.42 16.06 65.07 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -79.23 153.37 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 111.275 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 179.183 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.779 0.323 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.48 126.32 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.249 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -107.94 131.31 54.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 68.8 t -105.71 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -116.34 111.05 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 -170.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.93 124.82 53.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.59 17.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.211 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.32 136.86 26.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.247 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.17 19.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 81.6 t -121.03 117.87 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 -172.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.57 62.73 3.13 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 170.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.86 147.54 46.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.749 0.309 . . . . 0.0 111.196 -175.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.04 -15.31 58.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.9 154.63 47.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.248 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.69 161.66 42.54 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.24 162.57 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 111.283 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -100.75 113.09 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.5 108.95 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.183 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.24 135.96 8.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.49 133.69 47.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 111.215 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.15 9.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.241 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.66 -61.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.26 -165.77 25.38 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.26 16.12 65.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.23 153.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 111.222 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.181 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.356 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.38 22.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.232 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.93 131.25 54.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.6 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.34 111.0 19.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 -170.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.89 124.8 53.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.235 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.66 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.38 136.9 26.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.47 110.22 19.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 81.7 t -121.04 117.9 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -172.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.69 3.16 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 170.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.85 147.55 46.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.97 -15.44 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.155 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.85 154.68 47.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.212 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.73 161.66 42.45 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.63 12.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.263 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.69 113.03 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.56 108.89 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.2 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.03 8.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.444 HD13 HD21 ' H' ' 34' ' ' LEU . 39.2 tp -129.48 133.81 47.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.136 173.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.23 176.14 9.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.183 172.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 90.1 t -108.54 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.216 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.78 25.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.26 16.17 65.17 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.31 153.37 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 111.19 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.292 179.094 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.76 0.314 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.44 22.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.97 131.29 54.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -105.58 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.31 110.96 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 -170.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.86 124.86 53.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.202 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.59 16.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.201 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.92 26.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.46 110.1 19.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 82.2 t -120.93 117.97 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -172.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.43 62.76 3.14 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.55 46.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 0.0 111.218 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.31 58.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.9 154.66 47.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.69 42.54 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.58 12.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.749 0.309 . . . . 0.0 111.261 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.68 112.99 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.55 108.96 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 -173.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.46 133.67 47.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 111.2 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.07 176.18 9.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.259 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.65 -61.19 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.25 -165.87 25.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.03 65.27 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.17 153.45 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 111.233 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.212 179.14 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.749 0.309 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.44 126.42 22.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.98 131.22 54.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 69.4 t -105.59 106.77 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 175.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.24 110.93 19.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.86 124.82 53.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.244 175.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.79 125.63 17.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.236 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.41 136.91 26.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.45 110.21 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -121.06 118.02 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.41 62.7 3.17 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 170.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.79 147.59 46.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 111.254 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.38 58.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.8 154.65 47.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.74 161.74 42.51 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.6 12.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.185 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.75 113.04 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 -173.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.29 135.95 8.09 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.5 133.71 47.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 111.209 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.06 176.19 9.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.67 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.22 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.76 25.38 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.34 16.04 65.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.22 153.33 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.203 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.49 126.41 22.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.01 131.31 54.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -105.66 106.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.27 110.99 19.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.93 124.77 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.59 17.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.256 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.36 136.93 26.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.47 110.17 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 82.8 t -120.96 117.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.51 62.69 3.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 170.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.89 147.62 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 111.123 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.09 -15.3 58.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.234 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.87 154.62 47.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.74 42.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.56 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 111.206 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.72 113.08 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.56 108.99 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.95 8.09 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.444 HD21 HD13 ' E' ' 34' ' ' LEU . 39.3 tp -129.48 133.74 47.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 111.183 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.16 176.12 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 172.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 88.6 t -108.6 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.33 -165.79 25.39 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.09 65.2 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.25 153.38 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.322 . . . . 0.0 111.192 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 179.14 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.737 0.303 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.52 126.39 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.24 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.91 131.25 54.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -105.64 106.77 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.19 111.03 19.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.268 -170.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.97 124.84 53.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.64 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.9 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.46 110.14 19.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 82.1 t -120.99 117.88 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.233 -172.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.62 62.73 3.12 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 170.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.92 147.55 46.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 -175.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.01 -15.44 58.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.85 154.67 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.66 161.7 42.63 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.29 162.67 12.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 0.0 111.24 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -100.72 112.96 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.276 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 -173.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.0 8.13 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.45 133.63 47.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 111.263 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.08 176.17 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.257 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.57 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.21 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.79 25.38 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.04 65.23 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.18 153.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 111.206 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.155 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.42 126.4 22.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.238 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.97 131.29 54.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.68 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.19 110.92 19.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.239 -170.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.88 124.83 53.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.228 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.78 125.61 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 174.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.4 136.89 26.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.205 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.46 110.21 19.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 81.3 t -121.02 117.88 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -172.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.82 3.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.9 147.6 46.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.759 0.314 . . . . 0.0 111.223 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.05 -15.37 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.6 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.65 161.74 42.69 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.33 162.54 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.179 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.1 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.56 108.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 -173.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.07 8.17 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.61 133.67 47.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.197 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.23 9.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 172.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -108.66 -61.3 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.35 -165.84 25.39 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.38 16.05 65.16 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -79.22 153.4 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 111.187 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.191 179.163 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.853 0.359 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.35 22.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.91 131.28 54.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.265 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -105.62 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.06 19.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -170.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.99 124.84 53.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.55 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.281 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.28 136.92 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.178 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.44 110.14 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.97 117.88 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 -172.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.8 3.12 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.9 147.61 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 111.182 -175.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.07 -15.38 58.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.61 47.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.64 42.51 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.61 12.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.76 113.06 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.57 108.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 -173.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.05 8.16 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.442 HD21 HD13 ' H' ' 34' ' ' LEU . 39.4 tp -129.55 133.7 47.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.186 173.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.11 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.64 -61.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.251 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.22 -165.82 25.36 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.32 16.08 65.24 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.22 153.39 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.181 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.144 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.783 0.325 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.54 126.41 22.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.224 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 46.2 mt -107.94 131.27 54.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.199 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 68.1 t -105.66 106.94 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.38 110.92 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.205 -170.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.83 124.8 53.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.229 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 125.56 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 174.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.29 136.88 26.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -113.51 110.18 19.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 80.1 t -120.94 117.86 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 -172.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.81 3.11 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.95 147.57 46.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 111.138 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.36 58.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.72 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.233 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.7 42.55 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.36 162.54 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.06 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.53 108.94 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -173.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.04 8.16 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 39.4 tp -129.52 133.72 47.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 111.172 173.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.17 176.17 9.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 172.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.7 -61.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.21 -165.84 25.35 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.28 16.16 65.16 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.28 153.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.137 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.32 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.232 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.91 131.17 54.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -105.59 106.92 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.39 111.08 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -170.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -111.91 124.92 53.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.201 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.89 125.63 16.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 174.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.37 136.92 26.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.53 110.17 19.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 81.2 t -120.96 117.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.55 62.68 3.15 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.84 147.55 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 111.23 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.9 -15.48 58.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.252 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.85 154.6 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.212 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.68 161.7 42.6 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.66 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.138 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.78 113.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.58 108.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.213 -173.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 135.97 8.11 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.49 133.75 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 111.097 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.14 176.25 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.74 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.29 -165.83 25.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.01 65.36 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.21 153.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.212 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.2 -1.548 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.226 179.165 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.777 0.323 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.41 126.35 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.97 131.36 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.6 106.85 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 175.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.31 111.07 19.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -170.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.98 124.88 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.92 125.67 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 173.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.91 26.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.204 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.53 110.25 19.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.207 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 81.4 t -120.99 117.97 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.213 -172.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.71 3.16 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.86 147.51 46.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 -175.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.97 -15.36 58.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.91 154.59 47.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.73 42.72 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 162.61 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -177.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.76 113.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.58 108.86 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -173.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.08 8.18 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.438 HD21 HD13 ' K' ' 34' ' ' LEU . 39.5 tp -129.54 133.63 47.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 173.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.09 176.23 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 172.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.66 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.83 25.36 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.09 65.13 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.25 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.167 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.83 0.348 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.45 126.4 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.9 131.15 54.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -105.51 106.82 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 175.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.26 111.06 19.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.211 -170.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -111.97 124.82 53.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.69 17.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.4 136.85 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.228 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.45 110.15 19.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.192 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.0 117.9 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -172.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.63 3.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 170.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.55 46.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.235 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.98 -15.47 58.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.8 154.63 47.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.267 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.73 42.69 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.63 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.821 0.344 . . . . 0.0 111.199 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.83 113.09 35.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.61 109.05 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.32 135.98 8.11 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.47 133.73 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 0.0 111.196 173.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.16 176.2 9.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -108.64 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.23 -165.91 25.34 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.37 16.18 64.92 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.33 153.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.205 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.502 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 179.179 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.34 22.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.92 131.26 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.25 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.65 106.87 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.37 111.06 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -170.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -111.91 124.82 53.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.224 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.78 125.73 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 173.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.43 136.87 26.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.45 110.21 19.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.04 117.95 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.44 62.78 3.14 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.87 147.57 46.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.4 58.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.202 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.92 154.67 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.65 42.64 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.29 162.63 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.718 0.294 . . . . 0.0 111.218 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.7 113.08 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.56 108.87 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.51 133.69 47.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.196 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.17 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -108.67 -61.11 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.19 -165.85 25.34 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.41 16.09 65.03 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.31 153.35 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.791 0.329 . . . . 0.0 111.183 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--O 1.201 -1.449 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.787 0.327 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.36 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.94 131.24 54.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.276 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -105.55 106.73 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.23 110.91 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 -170.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.86 124.81 53.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.231 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.65 17.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.274 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.41 136.86 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.217 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.14 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 82.7 t -120.93 117.91 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 -172.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.81 3.12 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 170.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.86 147.53 46.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.774 0.321 . . . . 0.0 111.18 -175.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.95 -15.5 58.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.78 154.61 47.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.23 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.62 161.74 42.76 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.61 12.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.321 . . . . 0.0 111.222 -177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.74 113.07 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.202 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.57 108.86 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.239 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.26 135.95 8.1 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . 0.439 HD13 HD21 ' T' ' 34' ' ' LEU . 39.4 tp -129.49 133.73 47.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 173.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.2 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.176 172.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 89.4 t -108.69 -61.03 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.251 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.16 -165.83 25.34 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.34 16.06 65.24 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.29 153.41 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.855 0.359 . . . . 0.0 111.206 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.246 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.38 22.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.95 131.19 54.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.55 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.26 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.26 110.98 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 -170.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.94 124.89 53.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 125.64 17.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 174.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.34 136.85 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.4 110.15 19.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.03 117.95 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.183 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.44 62.73 3.15 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.88 147.59 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.92 -15.46 58.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.193 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.86 154.72 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.85 161.73 42.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.61 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -100.65 113.04 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.55 108.97 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -173.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.21 135.98 8.12 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.49 133.66 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 111.215 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.18 9.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 172.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 89.5 t -108.65 -61.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.32 -165.8 25.39 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.31 16.08 65.25 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.24 153.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 111.107 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.201 -1.454 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.238 179.075 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.44 22.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . . . . . . . . . 46.1 mt -108.02 131.2 54.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.58 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.32 110.99 19.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -170.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.93 124.78 53.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.227 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.77 125.7 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 173.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.89 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.41 110.07 19.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 81.9 t -120.92 117.86 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.249 -172.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.73 3.14 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 170.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 39.6 t -136.84 147.58 46.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.147 -175.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.39 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.6 47.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.212 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.59 161.65 42.73 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.63 12.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.76 113.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 175.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.01 8.13 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.47 133.7 47.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 111.198 173.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.25 9.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.68 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.86 25.35 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.14 65.03 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.28 153.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.199 -1.581 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.211 179.111 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.57 126.41 22.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.99 131.35 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.67 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.26 111.05 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 -170.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -111.96 124.82 53.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.271 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.81 125.61 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.21 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.36 136.89 26.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.15 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 82.5 t -121.01 117.89 54.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -172.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.47 62.71 3.16 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.79 147.66 46.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.1 -15.37 58.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.84 154.63 47.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.71 42.56 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.55 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 0.0 111.153 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 82.1 mt -100.74 113.08 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.186 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.52 108.94 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.212 -173.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.26 135.98 8.11 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 34' ' ' LEU . . . . . 0.444 HD13 HD21 ' W' ' 34' ' ' LEU . 39.2 tp -129.56 133.69 47.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 0.0 111.181 173.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.05 176.23 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 172.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.65 -61.21 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.246 174.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.86 25.36 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.35 16.22 64.87 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.31 153.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 111.155 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 179.124 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.849 0.357 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.42 22.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.04 131.26 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 67.5 t -105.59 106.79 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.206 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.23 111.02 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 -170.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.97 124.85 53.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.6 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 174.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.33 136.83 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.39 110.11 19.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.243 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 82.3 t -120.95 117.92 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.4 62.81 3.13 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.89 147.6 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.733 0.301 . . . . 0.0 111.199 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.97 -15.43 58.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.86 154.69 47.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.71 42.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 162.65 12.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.75 0.309 . . . . 0.0 111.187 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -100.75 113.0 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.263 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.46 108.94 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.245 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.31 136.01 8.12 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.49 133.69 47.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.321 . . . . 0.0 111.218 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.15 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.209 172.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.59 -61.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.249 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.27 -165.81 25.37 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.32 16.12 65.14 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -79.26 153.38 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.2 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 179.174 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.4 22.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.94 131.24 54.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 68.2 t -105.61 106.81 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.21 111.05 19.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.238 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -112.01 124.85 53.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.247 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.81 125.61 17.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.223 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.35 136.92 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.48 110.15 19.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -120.94 117.91 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.206 -172.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.63 3.18 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 170.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.8 147.62 46.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 111.2 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.02 -15.34 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.91 154.67 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.7 42.54 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.55 12.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.74 113.07 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.52 108.9 25.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 -173.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.29 135.96 8.1 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.43 133.68 47.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.209 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.08 176.17 9.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.61 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.83 25.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.04 65.22 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.25 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 0.0 111.187 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.135 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.841 0.353 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.41 126.39 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 mt -107.99 131.24 54.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.66 106.91 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.02 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.96 124.79 53.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.66 17.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.35 136.92 26.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -113.48 110.12 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.25 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 82.3 t -120.96 117.93 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -172.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.79 3.13 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.82 147.58 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 111.185 -175.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.06 -15.39 58.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.88 154.61 47.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.72 161.73 42.56 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.24 162.62 12.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 111.194 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.82 113.04 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.54 108.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 34' ' ' LEU . . . . . 0.447 HD13 HD21 ' Z' ' 34' ' ' LEU . 39.4 tp -129.48 133.73 47.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.768 0.318 . . . . 0.0 111.186 173.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.18 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 172.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.65 -61.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.26 -165.84 25.36 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.43 16.04 65.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.25 153.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 111.188 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.201 -1.452 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.329 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.43 126.34 22.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.257 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.93 131.18 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.195 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -105.57 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.207 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.27 111.05 19.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -111.96 124.82 53.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.242 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.62 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.32 136.85 26.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.41 110.16 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.238 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -121.0 117.95 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -172.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.55 62.69 3.15 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 170.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.84 147.61 46.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 111.24 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.39 58.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.23 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.89 154.62 47.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.67 161.71 42.62 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.6 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.233 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.7 113.03 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.246 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.54 108.92 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.22 136.05 8.16 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.56 133.69 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.204 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.15 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 172.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.65 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.29 -165.82 25.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.3 16.17 65.08 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.28 153.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.201 -1.465 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 179.069 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.804 0.335 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.42 126.36 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.95 131.23 54.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.56 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 175.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.28 111.02 19.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -112.01 124.84 53.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 175.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.62 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 173.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.38 136.98 26.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.6 110.17 19.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 82.7 t -121.01 117.97 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -172.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.39 62.73 3.16 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.84 147.59 46.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 111.214 -175.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.39 58.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.61 47.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.66 161.69 42.64 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.58 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.73 113.01 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.245 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.55 108.99 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -173.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 136.05 8.16 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.52 133.74 47.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.741 0.305 . . . . 0.0 111.252 173.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.19 9.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.6 -61.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.195 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.8 25.38 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.27 16.16 65.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.32 153.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.202 -1.442 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.182 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.332 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.52 126.41 22.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.97 131.2 54.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -105.57 106.78 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.265 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.24 111.02 19.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -170.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.95 124.88 53.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.6 17.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.43 136.89 26.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.45 110.25 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.2 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 80.7 t -121.01 117.94 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.29 -172.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.74 3.14 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.64 46.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.04 -15.36 58.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.201 175.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.9 154.69 47.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.222 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.75 161.76 42.52 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.33 162.59 12.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.246 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.06 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.57 108.89 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.16 136.01 8.14 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 34' ' ' LEU . . . . . 0.447 HD21 HD13 ' W' ' 34' ' ' LEU . 39.3 tp -129.53 133.68 47.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 173.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.09 176.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.204 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -108.68 -61.19 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.78 25.39 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.25 16.18 65.17 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.27 153.45 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.37 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.272 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.02 131.29 54.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.63 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.22 111.01 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -170.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -111.96 124.79 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.67 125.63 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.247 173.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.4 136.89 26.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.48 110.22 19.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 81.3 t -120.98 117.96 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.222 -172.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.76 3.14 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 170.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.87 147.6 46.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.07 -15.33 58.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.61 47.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.6 161.7 42.75 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.22 162.6 12.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.265 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 82.2 mt -100.75 113.05 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.55 108.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.205 -173.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 136.0 8.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -129.52 133.75 47.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 111.156 173.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.14 176.2 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 172.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 89.6 t -108.66 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.21 -165.79 25.36 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.1 65.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.23 153.41 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 0.0 111.16 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.104 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.787 0.327 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.68 115.02 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' O ' ' HA ' ' Y' ' 21' ' ' ALA . . . -142.85 130.35 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.8 143.56 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.47 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -128.14 126.41 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.13 2.81 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.38 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 111.2 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.0 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.226 166.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.85 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.39 38.67 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.79 14.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.213 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.61 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 172.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.81 119.58 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -174.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.53 3.84 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD23 HD13 ' Y' ' 34' ' ' LEU . 41.7 tp -131.33 119.87 22.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 111.256 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.57 36.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.37 127.13 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.61 125.34 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.336 . . . . 0.0 111.169 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.199 -1.563 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 177.357 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.767 0.318 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.63 111.5 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.563 ' C ' HD23 ' B' ' 17' ' ' LEU . 6.5 tt -110.36 104.44 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -116.48 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.52 117.05 33.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.63 114.97 22.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.255 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' E' ' 21' ' ' ALA . . . -142.84 130.34 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.228 175.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.76 143.51 29.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.24 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.86 112.52 14.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.207 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.3 t -128.17 126.41 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.37 62.09 2.82 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.11 -177.32 5.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.19 -51.04 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 166.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.83 158.81 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 174.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.89 -164.35 38.66 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 172.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.71 162.84 14.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.206 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.16 114.51 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.79 119.68 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -174.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 117.56 3.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.7 tp -131.4 119.87 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.203 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.21 124.64 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.45 127.09 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.5 0.49 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.62 125.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 111.195 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 177.371 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.59 111.49 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.558 HD23 ' C ' ' C' ' 17' ' ' LEU . 6.5 tt -110.35 104.44 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -116.5 101.62 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.48 117.09 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.7 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' F' ' 21' ' ' ALA . . . -142.87 130.31 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 175.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.74 143.55 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.85 112.52 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.24 126.45 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.4 62.09 2.81 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.37 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 111.152 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.06 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 166.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.8 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.37 38.65 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.66 162.78 14.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 111.199 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.17 114.55 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 172.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.79 119.59 58.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 172.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.459 HD13 HD23 ' F' ' 34' ' ' LEU . 41.5 tp -131.38 119.89 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.225 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.55 36.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.33 127.04 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.235 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.26 150.42 6.12 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.47 0.5 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.4 t -128.58 125.37 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.208 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 177.319 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.818 0.342 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.57 111.45 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.562 HD23 ' C ' ' D' ' 17' ' ' LEU . 6.5 tt -110.35 104.49 13.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.51 101.72 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.6 117.03 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.59 114.99 22.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' G' ' 21' ' ' ALA . . . -142.87 130.35 21.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.78 143.56 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.94 112.5 14.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.2 126.5 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -172.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.22 62.19 2.82 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.15 -177.38 5.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.07 -51.08 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.212 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.78 158.86 15.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.03 -164.37 38.54 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 172.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.8 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.13 114.55 46.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 172.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.78 119.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 117.6 3.86 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 172.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.463 HD13 HD23 ' G' ' 34' ' ' LEU . 41.5 tp -131.34 119.83 22.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.308 . . . . 0.0 111.222 -176.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.0 ttm -128.23 124.62 37.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.06 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.5 0.49 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.6 125.31 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.24 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 177.377 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.838 0.351 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.61 111.45 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.564 HD23 ' C ' ' E' ' 17' ' ' LEU . 6.5 tt -110.34 104.47 13.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.5 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.203 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.67 114.98 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 21' ' ' ALA . . . -142.84 130.39 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.57 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.9 112.5 14.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.16 126.48 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -172.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.08 -177.35 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.202 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.09 -51.09 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 166.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.81 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.31 38.62 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.7 162.81 14.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.188 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.53 45.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 172.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.74 119.65 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -173.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.61 3.86 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.401 HD13 HD23 ' H' ' 34' ' ' LEU . 41.5 tp -131.39 119.86 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 -176.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.2 124.61 37.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.1 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.37 6.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.66 125.33 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 111.18 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.199 -1.587 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 177.349 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.63 111.43 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.557 HD23 ' C ' ' F' ' 17' ' ' LEU . 6.5 tt -110.31 104.42 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.221 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.44 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.54 117.11 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.7 114.96 22.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' C' ' 21' ' ' ALA . . . -142.84 130.38 21.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.81 143.59 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.96 112.5 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' I' ' 24' ' ' VAL . 97.8 t -128.17 126.43 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -172.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.13 2.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.39 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.203 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.06 -51.07 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 166.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.84 15.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.36 38.63 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 172.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.71 162.84 14.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.228 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.21 114.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.75 119.62 58.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -174.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 172.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.463 HD13 HD23 ' I' ' 34' ' ' LEU . 41.7 tp -131.36 119.83 22.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.211 -176.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.66 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.217 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.35 127.05 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.252 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.18 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.72 51.52 0.49 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 97.0 t -128.65 125.27 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.228 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 177.327 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.807 0.336 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.55 111.42 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.226 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.564 ' C ' HD23 ' G' ' 17' ' ' LEU . 6.5 tt -110.3 104.43 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 66.3 t -116.46 101.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.225 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.48 117.06 33.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.69 115.02 22.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' D' ' 21' ' ' ALA . . . -142.84 130.34 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.78 143.53 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.85 112.51 14.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.23 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 -172.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.08 2.83 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.07 -177.3 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 0.0 111.219 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.11 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 166.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.73 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.36 38.6 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.63 162.81 14.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.54 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.212 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.75 119.6 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.3 117.61 3.86 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 172.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' D' ' 34' ' ' LEU . 41.6 tp -131.33 119.88 22.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.775 0.322 . . . . 0.0 111.218 -176.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.61 37.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.41 127.1 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.23 150.39 6.11 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.62 51.47 0.5 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -128.59 125.33 63.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 111.166 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.199 -1.574 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 177.311 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.49 4.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.562 HD23 ' C ' ' H' ' 17' ' ' LEU . 6.5 tt -110.34 104.45 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.46 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.55 117.0 32.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.63 115.04 22.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' K' ' 21' ' ' ALA . . . -142.89 130.41 21.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 175.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.86 143.55 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.88 112.47 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.205 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 97.8 t -128.14 126.45 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.228 -172.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.27 62.19 2.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.16 -177.38 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.11 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 166.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.222 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.96 -164.34 38.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.82 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 111.235 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.18 114.57 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.22 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.72 119.58 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -173.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.59 3.86 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.403 HD13 HD23 ' K' ' 34' ' ' LEU . 41.7 tp -131.37 119.9 22.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 111.216 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.26 124.61 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.4 127.07 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.24 150.34 6.1 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.6 125.32 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.813 0.339 . . . . 0.0 111.258 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 177.382 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.79 0.328 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.61 111.45 4.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.561 HD23 ' C ' ' I' ' 17' ' ' LEU . 6.5 tt -110.32 104.44 13.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.5 101.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.57 117.01 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.65 114.98 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.168 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' F' ' 21' ' ' ALA . . . -142.81 130.34 21.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.57 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.9 112.53 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' F' ' 24' ' ' VAL . 97.8 t -128.23 126.46 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.29 62.16 2.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.16 -177.36 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.15 -50.99 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 166.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.84 15.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.36 38.62 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.325 . . . . 0.0 111.224 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.58 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.75 119.6 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.247 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.6 3.86 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' F' ' 34' ' ' LEU . 41.7 tp -131.36 119.89 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.229 -176.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.64 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -132.45 127.09 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.38 6.11 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.59 51.53 0.5 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -128.64 125.39 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 177.373 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.5 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.556 HD23 ' C ' ' J' ' 17' ' ' LEU . 6.5 tt -110.3 104.39 13.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.48 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.5 117.06 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -120.68 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' M' ' 21' ' ' ALA . . . -142.86 130.39 21.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 175.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -145.86 143.57 29.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.92 112.51 14.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 96.8 t -128.2 126.48 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 -172.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.28 62.14 2.82 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.4 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.181 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.03 -51.1 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 166.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.75 158.82 15.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.98 -164.33 38.57 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.78 14.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 111.204 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.18 114.54 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.209 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.73 119.57 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.209 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.22 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.46 HD23 HD13 ' G' ' 34' ' ' LEU . 41.5 tp -131.36 119.9 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.212 -176.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.63 37.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.41 127.05 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.25 150.34 6.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.53 0.49 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.6 125.35 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 111.205 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.229 177.328 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.821 0.343 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.64 111.47 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.564 HD23 ' C ' ' K' ' 17' ' ' LEU . 6.5 tt -110.35 104.5 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.53 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.56 117.06 33.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -120.68 115.06 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' H' ' 21' ' ' ALA . . . -142.92 130.37 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.54 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.92 112.54 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.191 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -128.24 126.44 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.32 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.198 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.08 -51.11 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 166.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.222 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.95 -164.37 38.62 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 172.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.8 14.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 111.184 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.2 114.54 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.72 119.59 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 172.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.403 HD23 HD13 ' H' ' 34' ' ' LEU . 41.5 tp -131.39 119.91 22.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.352 . . . . 0.0 111.209 -176.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.6 37.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.224 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.4 127.04 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.24 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.41 0.49 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 96.8 t -128.55 125.33 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 111.243 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 177.361 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.35 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.48 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.215 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.564 ' C ' HD23 ' L' ' 17' ' ' LEU . 6.5 tt -110.31 104.46 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.5 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.54 117.04 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.68 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 21' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' I' ' 21' ' ' ALA . . . -142.87 130.38 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.86 143.54 29.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.48 14.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' I' ' 24' ' ' VAL . 95.7 t -128.17 126.4 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.219 -172.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.3 62.18 2.81 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.35 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 111.207 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.07 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 166.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.74 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.95 -164.39 38.62 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 172.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.86 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 111.195 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -117.23 114.55 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.71 119.57 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.53 3.84 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' I' ' 34' ' ' LEU . 41.6 tp -131.3 119.9 22.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.216 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.62 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.4 127.07 56.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.68 51.48 0.49 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.6 125.3 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 177.372 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.54 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.544 HD23 ' C ' ' M' ' 17' ' ' LEU . 6.5 tt -110.35 104.39 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.46 101.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.47 117.0 32.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.249 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.61 114.99 22.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 21' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -142.86 130.36 21.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 175.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.53 29.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.86 112.5 14.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.16 126.42 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -172.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.15 2.81 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.13 -177.41 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 111.249 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.05 -51.08 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.8 158.88 15.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.177 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.01 -164.29 38.52 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 172.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.74 162.81 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 111.2 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.19 114.52 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 172.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.76 119.65 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.463 HD13 HD23 ' P' ' 34' ' ' LEU . 41.6 tp -131.4 119.85 22.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -176.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.22 124.66 37.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.44 127.06 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.32 6.08 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.73 51.46 0.49 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.59 125.33 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.19 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 177.322 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.832 0.348 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.66 111.47 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.556 HD23 ' C ' ' N' ' 17' ' ' LEU . 6.5 tt -110.32 104.45 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.23 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.45 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.53 116.99 32.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.246 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -120.6 115.03 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' K' ' 21' ' ' ALA . . . -142.9 130.35 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 175.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.51 29.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.89 112.5 14.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.16 126.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.29 62.1 2.83 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.36 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 111.201 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.14 -51.12 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.73 158.87 15.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.0 -164.41 38.59 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.61 162.82 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 111.223 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.19 114.53 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.76 119.64 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.6 3.85 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 172.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.403 HD23 HD13 ' K' ' 34' ' ' LEU . 41.6 tp -131.39 119.9 22.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.195 -176.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.3 124.64 37.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.37 127.11 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.217 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.17 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.57 125.32 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 177.293 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.774 0.321 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.47 4.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.557 HD23 ' C ' ' O' ' 17' ' ' LEU . 6.5 tt -110.33 104.48 13.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.5 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.51 117.05 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.63 115.0 22.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 21' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' L' ' 21' ' ' ALA . . . -142.87 130.36 21.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.79 143.49 29.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.83 112.55 14.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 97.8 t -128.21 126.44 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 -172.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.28 62.17 2.81 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -144.15 -177.32 5.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.153 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.12 -51.09 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 166.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.73 158.86 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 174.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.38 38.6 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.82 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 111.204 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.74 119.58 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -174.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.24 117.54 3.84 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.462 HD23 HD13 ' L' ' 34' ' ' LEU . 41.5 tp -131.37 119.89 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.34 . . . . 0.0 111.201 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.22 124.64 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.37 127.08 56.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.235 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.54 0.49 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.62 125.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 111.196 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 177.335 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.806 0.336 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.53 111.49 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.553 HD23 ' C ' ' P' ' 17' ' ' LEU . 6.5 tt -110.31 104.41 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.43 101.69 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 176.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.56 117.07 33.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.65 115.0 22.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 21' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' S' ' 21' ' ' ALA . . . -142.85 130.41 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.57 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.237 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.89 112.51 14.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 95.6 t -128.19 126.47 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.19 2.8 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.19 -177.39 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.173 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.09 -51.03 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 166.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.02 -164.34 38.54 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.78 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.17 114.55 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 172.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.77 119.57 58.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.262 -174.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.23 117.61 3.87 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.464 HD13 HD23 ' S' ' 34' ' ' LEU . 41.4 tp -131.37 119.88 22.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 111.197 -176.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.23 124.61 37.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.34 127.11 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.18 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.62 51.5 0.49 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.6 125.36 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.201 -1.498 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 177.339 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.65 111.51 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . 0.544 ' C ' HD23 ' Q' ' 17' ' ' LEU . 6.5 tt -110.31 104.47 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -116.5 101.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.47 117.05 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.66 115.02 22.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' N' ' 21' ' ' ALA . . . -142.87 130.38 21.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.214 175.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.55 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.88 112.51 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.19 126.47 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.25 62.12 2.83 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.08 -177.4 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.324 . . . . 0.0 111.23 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.04 -51.09 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 166.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.76 158.83 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.33 38.58 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.82 14.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 111.235 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.21 114.52 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.72 119.6 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -173.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . 0.401 HD23 HD13 ' N' ' 34' ' ' LEU . 41.5 tp -131.41 119.89 22.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.207 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.28 124.64 37.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.38 127.06 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.73 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -174.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.63 125.35 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.195 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.232 177.356 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.787 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.57 111.47 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 17' ' ' LEU . . . . . 0.546 HD23 ' C ' ' R' ' 17' ' ' LEU . 6.5 tt -110.36 104.49 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.51 101.64 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.52 117.09 33.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.67 114.99 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 21' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -142.86 130.41 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 175.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.81 143.59 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.92 112.48 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.218 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.16 126.43 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -172.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.3 62.11 2.82 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.08 -177.33 5.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.181 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.17 -51.0 3.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.213 166.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.82 158.77 15.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.38 38.65 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 172.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.63 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.798 0.333 . . . . 0.0 111.178 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.18 114.52 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 172.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.7 119.62 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 172.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.458 HD23 HD13 ' O' ' 34' ' ' LEU . 41.6 tp -131.35 119.82 22.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.232 -176.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.63 37.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.224 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.42 127.08 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.31 6.08 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.5 0.49 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.57 125.33 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 111.199 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 177.331 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.64 111.48 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 0.56 HD23 ' C ' ' S' ' 17' ' ' LEU . 6.5 tt -110.37 104.47 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -116.52 101.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.48 117.03 32.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.64 115.01 22.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.217 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 21' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' P' ' 21' ' ' ALA . . . -142.89 130.38 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 175.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.56 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.236 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.55 14.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.18 126.43 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -172.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.35 62.11 2.81 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.37 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.309 . . . . 0.0 111.219 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -104.13 -51.08 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 166.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.72 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.33 38.6 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.81 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.17 114.56 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 172.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.76 119.58 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -173.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.465 HD13 HD23 ' V' ' 34' ' ' LEU . 41.6 tp -131.35 119.83 22.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 0.0 111.214 -176.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.23 124.69 37.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.45 127.1 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.23 150.36 6.1 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.45 0.49 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -174.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -128.54 125.3 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.264 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 177.37 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.327 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.62 111.45 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 17' ' ' LEU . . . . . 0.545 HD23 ' C ' ' T' ' 17' ' ' LEU . 6.5 tt -110.34 104.46 13.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.47 101.61 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.48 117.08 33.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.208 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -120.67 114.95 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' Q' ' 21' ' ' ALA . . . -142.86 130.34 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -145.79 143.53 29.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.87 112.54 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.19 126.45 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.34 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.1 -177.36 5.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.328 . . . . 0.0 111.19 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.14 -51.04 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 166.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.84 15.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.93 -164.36 38.63 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.81 14.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 111.211 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 172.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.77 119.6 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.27 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 41.7 tp -131.35 119.85 22.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 111.236 -176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.17 124.62 37.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.4 127.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.193 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.58 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.66 125.29 63.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 177.341 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.57 111.48 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.246 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 17' ' ' LEU . . . . . 0.555 HD23 ' C ' ' U' ' 17' ' ' LEU . 6.5 tt -110.28 104.45 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.54 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.66 115.01 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 21' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' R' ' 21' ' ' ALA . . . -142.85 130.37 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 175.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.82 143.52 29.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.9 112.52 14.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 97.4 t -128.16 126.44 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.09 2.82 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.1 -177.37 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.205 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.05 -51.06 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 166.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.81 158.8 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.31 38.61 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 172.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.7 162.81 14.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.18 114.5 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.268 172.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.71 119.62 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.3 117.55 3.84 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 34' ' ' LEU . . . . . 0.453 HD23 HD13 ' R' ' 34' ' ' LEU . 41.7 tp -131.36 119.88 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 111.221 -176.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.58 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.38 127.11 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.3 6.08 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.6 125.34 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 111.199 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 177.355 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.333 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.61 111.43 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 17' ' ' LEU . . . . . 0.563 ' C ' HD23 ' V' ' 17' ' ' LEU . 6.5 tt -110.3 104.45 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.47 101.7 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.65 115.0 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 21' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' S' ' 21' ' ' ALA . . . -142.87 130.34 21.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 175.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.55 29.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.48 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.235 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.15 126.47 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -172.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.22 62.18 2.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.11 -177.37 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.212 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.03 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 166.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.86 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.98 -164.38 38.6 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.84 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.182 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.19 114.52 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.74 119.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 34' ' ' LEU . . . . . 0.465 HD23 HD13 ' S' ' 34' ' ' LEU . 41.7 tp -131.31 119.88 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 111.235 -176.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.66 37.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.12 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.16 150.3 6.08 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.69 51.51 0.49 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.61 125.31 63.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 111.208 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 177.36 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.67 111.53 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 17' ' ' LEU . . . . . 0.549 HD23 ' C ' ' W' ' 17' ' ' LEU . 6.5 tt -110.42 104.45 13.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.42 101.64 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.207 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.5 117.05 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.65 114.99 22.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 21' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' T' ' 21' ' ' ALA . . . -142.88 130.38 21.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.56 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.87 112.44 14.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.15 126.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.11 2.82 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.41 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 111.21 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.06 -51.11 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 166.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.79 15.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 174.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.37 38.65 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 172.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.76 14.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.322 . . . . 0.0 111.209 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.12 114.54 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.73 119.61 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 -174.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.56 3.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 tp -131.34 119.84 22.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.765 0.317 . . . . 0.0 111.212 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.61 37.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.45 127.1 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.7 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.6 125.31 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.182 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 177.307 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.792 0.33 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.55 111.47 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.558 HD23 ' C ' ' X' ' 17' ' ' LEU . 6.5 tt -110.32 104.48 13.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.217 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.49 101.59 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.48 117.03 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.222 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.63 114.99 22.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 21' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' ALA . . . -142.85 130.41 21.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 175.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.87 143.53 29.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.9 112.53 14.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.23 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -172.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.18 2.8 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.15 -177.33 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.347 . . . . 0.0 111.185 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.16 -51.02 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.233 166.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.81 15.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.96 -164.37 38.61 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.82 14.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 111.181 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.2 114.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.74 119.56 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.24 117.55 3.85 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 172.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 34' ' ' LEU . . . . . 0.449 HD13 HD23 ' A' ' 34' ' ' LEU . 41.5 tp -131.34 119.94 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.202 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.31 124.6 36.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 99.5 t -132.34 127.09 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.49 0.49 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.62 125.33 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 111.198 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 177.352 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.6 111.51 4.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 17' ' ' LEU . . . . . 0.56 HD23 ' C ' ' Y' ' 17' ' ' LEU . 6.5 tt -110.34 104.49 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.51 101.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.51 117.07 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.71 114.96 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 21' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' V' ' 21' ' ' ALA . . . -142.82 130.4 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.54 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.5 14.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 173.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.2 126.44 66.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 -172.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.15 2.81 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.34 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.183 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.12 -51.11 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 166.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.76 158.84 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 174.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.02 -164.33 38.54 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.82 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 111.174 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 172.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.75 119.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -174.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.58 3.85 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' V' ' 34' ' ' LEU . 41.8 tp -131.38 119.82 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 111.222 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.64 37.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.41 127.08 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.25 150.34 6.1 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.46 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.61 125.33 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.184 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 177.369 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.819 0.343 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.49 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 17' ' ' LEU . . . . . 0.559 HD23 ' C ' ' Z' ' 17' ' ' LEU . 6.5 tt -110.37 104.43 13.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.43 101.62 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.47 117.08 33.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.66 114.98 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 21' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' W' ' 21' ' ' ALA . . . -142.89 130.39 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 175.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.82 143.59 29.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.93 112.5 14.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 97.1 t -128.17 126.48 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.23 62.14 2.83 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.37 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.222 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.07 -51.1 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 166.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.74 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.194 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.37 38.63 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.77 14.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.195 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.12 114.6 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.8 119.64 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.62 3.86 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 41.4 tp -131.41 119.89 22.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 111.217 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.66 37.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 98.7 t -132.42 127.07 56.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.213 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.26 150.39 6.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.68 51.45 0.49 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.6 125.34 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 111.182 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 177.332 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.46 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.214 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -110.28 104.48 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.49 101.66 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.54 117.07 33.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.64 115.0 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.86 130.36 21.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.51 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.5 14.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.244 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.19 126.43 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.192 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.14 2.81 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.34 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.175 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.08 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 166.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.8 15.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.87 -164.36 38.69 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 172.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.72 162.82 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.19 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.56 46.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 172.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.76 119.62 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.59 3.85 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 172.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.4 119.88 22.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 111.154 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.63 37.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.4 127.05 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.53 125.33 63.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.317 . . . . 0.0 111.213 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 177.321 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.808 0.337 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.58 110.99 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.67 108.35 18.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.242 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.34 113.45 25.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -174.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.9 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.28 122.52 68.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.41 -22.31 38.06 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.691 ' O ' ' HA ' ' X' ' 26' ' ' SER . 30.7 t -56.65 144.93 30.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.338 . . . . 0.0 111.205 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.52 ' HA ' ' HA ' ' Y' ' 26' ' ' SER . 85.6 m-20 -102.08 -2.25 29.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 174.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.277 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' Y' ' 29' ' ' GLY . . . -92.55 -161.35 36.42 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -172.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.44 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.166 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.1 119.89 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.26 130.74 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' Y' ' 33' ' ' GLY . . . -143.01 123.37 2.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD12 HD22 ' X' ' 34' ' ' LEU . 59.4 mt -120.22 141.07 50.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 111.196 -175.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.48 11.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 175.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.88 111.63 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.17 -4.51 48.62 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.65 -128.68 10.48 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.39 -51.92 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.214 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.199 -1.566 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 -175.57 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.809 0.338 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.43 138.95 57.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.261 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.44 136.37 53.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.188 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.68 115.5 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.71 112.05 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.244 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.46 110.98 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.25 18.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.187 175.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.21 113.54 25.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -174.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.98 96.19 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.16 122.53 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.32 37.97 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' E' ' 26' ' ' SER . 30.7 t -56.68 145.02 30.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.186 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.15 -2.18 29.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.42 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 -176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.57 -161.31 36.38 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -172.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.12 149.49 28.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 111.113 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.07 119.86 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 176.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.21 130.8 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.34 2.09 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 175.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.23 141.08 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.183 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.27 106.59 11.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.1 t -105.93 111.64 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.54 48.88 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.65 10.39 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.45 -51.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.199 -1.586 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.207 -175.606 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.11 57.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' F' ' 17' ' ' LEU . 59.7 mt -116.53 136.32 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.68 115.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.77 112.07 20.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.224 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 111.03 13.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.66 108.35 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.31 113.54 25.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.01 96.34 5.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.28 122.46 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.52 -22.38 37.65 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.69 ' HA ' ' O ' ' F' ' 26' ' ' SER . 30.6 t -56.67 145.02 30.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.237 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.15 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 174.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.67 176.4 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.59 -161.33 36.38 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -172.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.43 28.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 111.226 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.03 119.9 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.175 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.28 130.69 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.95 123.46 2.13 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.619 HD22 HD12 ' F' ' 34' ' ' LEU . 59.2 mt -120.28 141.11 50.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.49 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -105.86 111.63 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.48 48.72 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 -128.63 10.51 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.45 -51.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.21 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -175.55 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.57 139.08 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' G' ' 17' ' ' LEU . 59.5 mt -116.46 136.39 53.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.28 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -112.62 115.51 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.74 112.03 20.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.55 111.06 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.72 108.28 18.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.28 113.49 25.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.36 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 95.6 t -120.3 122.48 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.52 -22.4 37.62 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' G' ' 26' ' ' SER . 30.6 t -56.62 145.01 29.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.22 29.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.241 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.464 ' O ' ' HA3' ' G' ' 29' ' ' GLY . . . -92.63 -161.34 36.36 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -172.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.49 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.208 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.08 119.89 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.29 130.74 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.545 ' O ' ' HA2' ' G' ' 33' ' ' GLY . . . -143.02 123.45 2.12 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.24 141.07 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 0.0 111.224 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.34 106.53 11.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -105.92 111.61 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.16 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.47 48.63 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 -128.66 10.49 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.42 -51.97 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.199 -1.558 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 -175.604 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.729 0.299 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.45 139.1 57.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.51 136.35 53.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.247 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 88.9 t -112.68 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.78 112.04 20.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.51 111.0 13.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.262 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.32 18.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.28 113.51 25.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.95 96.26 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.27 122.5 68.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -175.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.32 37.97 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' B' ' 26' ' ' SER . 30.6 t -56.63 144.92 30.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 111.223 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.1 -2.19 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.62 176.43 5.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.62 -161.31 36.35 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -172.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.4 28.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.822 0.344 . . . . 0.0 111.214 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -123.06 119.84 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.3 130.7 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.19 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.4 2.12 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 58.5 mt -120.24 141.11 50.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 111.265 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.37 106.5 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t -105.85 111.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.238 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.5 48.8 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.59 -128.68 10.54 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.4 -51.93 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.36 . . . . 0.0 111.203 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -175.597 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.753 0.311 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.11 57.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.244 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' I' ' 17' ' ' LEU . 59.4 mt -116.45 136.37 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.188 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -112.65 115.48 49.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.63 112.08 20.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.254 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.01 13.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.29 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.18 113.53 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.267 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.93 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.37 122.51 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.53 -22.38 37.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.69 ' O ' ' HA ' ' C' ' 26' ' ' SER . 30.6 t -56.6 144.96 29.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.11 -2.22 29.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.74 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.164 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.6 -161.32 36.36 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -172.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.09 149.41 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.204 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.08 119.88 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.24 130.72 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' I' ' 33' ' ' GLY . . . -142.98 123.48 2.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 175.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.619 HD12 HD22 ' C' ' 34' ' ' LEU . 58.9 mt -120.24 141.04 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 111.259 -175.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.5 11.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -105.91 111.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.187 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.22 -4.47 48.41 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.68 10.47 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.46 -51.9 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 0.0 111.265 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -175.629 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.807 0.337 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.54 139.19 57.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.535 ' HB2' HD22 ' D' ' 17' ' ' LEU . 60.1 mt -116.56 136.34 53.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -112.64 115.53 50.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -116.66 112.07 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.176 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.58 111.09 13.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.21 18.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.12 113.49 25.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 -174.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.0 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.29 122.5 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.3 38.05 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 26' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' J' ' 26' ' ' SER . 30.6 t -56.69 145.03 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 111.254 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' D' ' 26' ' ' SER . 85.6 m-20 -102.17 -2.2 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 174.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.68 176.43 5.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.467 ' O ' ' HA3' ' J' ' 29' ' ' GLY . . . -92.57 -161.3 36.37 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -172.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.41 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.12 119.91 59.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.22 130.72 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' D' ' 33' ' ' GLY . . . -142.94 123.36 2.1 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.17 141.14 50.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.764 0.316 . . . . 0.0 111.238 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.44 11.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.92 111.73 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.54 48.77 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.69 -128.65 10.43 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.44 -51.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.357 . . . . 0.0 111.172 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.773 0.321 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.09 57.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -116.5 136.3 53.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.161 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.67 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.68 112.12 20.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 110.97 13.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.26 18.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.228 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.14 113.47 25.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.236 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.99 96.38 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.34 122.49 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 -22.27 38.17 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 26' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' K' ' 26' ' ' SER . 30.7 t -56.72 145.01 30.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 111.174 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.16 -2.18 29.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.37 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.53 -161.28 36.38 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -172.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.42 28.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.192 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.05 119.84 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.22 130.81 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.0 123.3 2.09 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.17 141.11 50.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.328 . . . . 0.0 111.221 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.44 11.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.28 175.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.81 111.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.05 -4.5 49.07 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.74 10.47 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.38 -51.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.743 0.306 . . . . 0.0 111.199 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -175.522 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.784 0.326 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.54 139.12 57.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.544 HD22 ' HB2' ' L' ' 17' ' ' LEU . 59.4 mt -116.51 136.34 53.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.66 115.48 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.218 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.62 112.06 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.269 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.49 111.01 13.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.21 18.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.48 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -174.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.87 96.34 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.41 122.53 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.4 -22.29 38.13 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 26' ' ' SER . . . . . 0.691 ' HA ' ' O ' ' L' ' 26' ' ' SER . 30.7 t -56.7 145.02 30.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 111.225 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.15 29.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.204 174.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.63 176.37 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.54 -161.37 36.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -172.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.44 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 111.231 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.14 119.78 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.18 130.78 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -176.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.401 ' O ' ' HA2' ' L' ' 33' ' ' GLY . . . -142.98 123.37 2.1 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.617 HD22 HD12 ' L' ' 34' ' ' LEU . 59.0 mt -120.2 141.13 50.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 111.21 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.46 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.219 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.89 111.62 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.42 48.56 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.52 -128.65 10.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.39 -52.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 -175.579 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.53 139.08 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' M' ' 17' ' ' LEU . 59.5 mt -116.54 136.37 53.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.71 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.75 112.15 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.149 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.54 111.02 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 174.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.33 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.21 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.54 25.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.99 96.26 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.3 122.55 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -175.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 -22.36 37.86 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.562 ' HA ' ' O ' ' M' ' 26' ' ' SER . 30.8 t -56.74 144.96 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 111.223 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.499 ' HA ' ' HA ' ' G' ' 26' ' ' SER . 85.5 m-20 -102.09 -2.1 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 174.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.69 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.468 ' O ' ' HA3' ' M' ' 29' ' ' GLY . . . -92.63 -161.37 36.38 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -172.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.42 28.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 111.205 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.05 119.88 58.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 176.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.22 130.71 71.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.544 ' HA2' ' O ' ' G' ' 33' ' ' GLY . . . -142.98 123.38 2.1 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.23 141.12 50.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 111.17 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.38 106.51 11.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.92 111.58 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.42 48.73 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 -128.67 10.54 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.36 -51.97 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 111.196 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.787 0.327 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.52 139.09 57.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.201 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.51 136.38 53.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 91.0 t -112.71 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.219 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.7 112.01 20.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.47 110.99 13.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.27 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.217 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.54 25.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.99 96.33 5.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.35 122.52 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.227 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.44 -22.31 38.01 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 26' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' H' ' 26' ' ' SER . 30.6 t -56.67 145.05 30.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.347 . . . . 0.0 111.192 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.24 -2.08 29.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 174.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.43 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.37 36.42 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.04 149.47 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.186 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.14 119.89 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.26 130.77 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.93 123.29 2.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.21 141.12 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 -175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.49 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -105.87 111.6 35.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.255 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.43 48.73 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.64 -128.57 10.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.54 -51.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.199 -1.564 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -175.608 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.05 57.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' O' ' 17' ' ' LEU . 59.4 mt -116.5 136.39 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -112.64 115.48 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -116.62 112.05 20.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.57 111.1 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.173 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.23 18.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.48 25.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.97 96.3 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 96.0 t -120.24 122.42 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.237 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -22.31 37.96 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 26' ' ' SER . . . . . 0.692 ' HA ' ' O ' ' O' ' 26' ' ' SER . 30.7 t -56.66 144.94 30.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 111.176 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.07 -2.23 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.67 176.4 5.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.36 36.42 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.05 149.48 28.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 111.198 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.13 119.84 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.16 130.78 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 33' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -143.01 123.38 2.1 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.624 HD22 HD12 ' O' ' 34' ' ' LEU . 59.1 mt -120.2 141.06 50.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 111.264 -175.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.22 106.38 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.239 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.82 111.69 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.284 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.06 -4.45 48.97 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.68 10.41 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.41 -51.9 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.195 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--O 1.199 -1.56 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 -175.532 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.66 139.11 57.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' P' ' 17' ' ' LEU . 59.4 mt -116.45 136.38 53.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -112.67 115.51 50.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.247 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.7 112.08 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.5 111.03 13.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.22 18.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.95 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.27 122.45 68.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 -22.26 38.21 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 26' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' P' ' 26' ' ' SER . 30.7 t -56.75 145.05 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 27' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' J' ' 26' ' ' SER . 85.5 m-20 -102.21 -2.17 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 174.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 29' ' ' GLY . . . . . 0.469 ' O ' ' HA3' ' P' ' 29' ' ' GLY . . . -92.69 -161.3 36.3 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -172.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.43 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -123.13 119.91 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.22 130.71 71.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.253 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 33' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -142.97 123.36 2.1 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.18 141.08 50.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.42 11.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.245 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 87.9 t -105.9 111.61 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -176.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.2 -4.52 48.52 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.59 -128.65 10.52 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.41 -51.95 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -175.524 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.78 0.324 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.54 139.05 57.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 -175.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.48 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 89.7 t -112.71 115.45 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.69 112.09 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.48 110.95 13.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.276 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.33 18.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.25 113.49 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 -174.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.97 96.36 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.31 122.47 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.54 -22.43 37.46 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 26' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' K' ' 26' ' ' SER . 30.8 t -56.64 144.97 30.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 111.228 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.11 -2.21 29.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.6 -161.29 36.35 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -172.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.09 149.46 28.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 111.192 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.17 119.83 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.15 130.84 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.07 123.34 2.09 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.19 141.12 50.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.0 111.167 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.43 11.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -105.91 111.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.01 -4.36 49.08 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.55 -128.65 10.55 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.38 -52.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.22 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.249 -175.639 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.48 139.09 57.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' R' ' 17' ' ' LEU . 59.5 mt -116.46 136.34 53.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 88.3 t -112.67 115.47 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.229 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.65 112.09 20.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.59 111.06 13.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 174.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.31 18.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.54 25.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.31 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.2 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.35 122.47 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.46 -22.28 38.09 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 26' ' ' SER . . . . . 0.693 ' HA ' ' O ' ' R' ' 26' ' ' SER . 30.6 t -56.64 145.0 29.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 111.174 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.18 -2.18 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.57 -161.33 36.39 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -172.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.5 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 111.205 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -123.18 119.79 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.14 130.75 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.208 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 33' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' L' ' 33' ' ' GLY . . . -143.02 123.4 2.11 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 175.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.626 HD22 HD12 ' R' ' 34' ' ' LEU . 59.1 mt -120.16 141.14 50.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.243 -175.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.35 106.44 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.194 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -105.91 111.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.5 48.97 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.78 10.5 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.4 -51.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.225 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.819 0.343 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.47 139.12 57.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.255 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.541 ' HB2' HD22 ' M' ' 17' ' ' LEU . 59.5 mt -116.43 136.41 53.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.68 115.5 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.67 112.01 20.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.243 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 111.09 13.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.189 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.72 108.31 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.198 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.51 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.191 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.3 122.46 68.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.193 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 -22.46 37.34 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 26' ' ' SER . . . . . 0.566 ' O ' ' HA ' ' M' ' 26' ' ' SER . 30.6 t -56.54 145.04 29.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 111.191 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 27' ' ' ASN . . . . . 0.495 ' HA ' ' HA ' ' M' ' 26' ' ' SER . 85.6 m-20 -102.23 -2.22 29.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 174.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.65 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 29' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' M' ' 29' ' ' GLY . . . -92.65 -161.31 36.33 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -172.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.43 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 111.29 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.11 119.93 59.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.29 130.78 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -176.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 33' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' M' ' 33' ' ' GLY . . . -142.96 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.22 141.11 50.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.26 106.51 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.97 111.71 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.51 48.73 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.64 -128.67 10.49 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.39 -51.94 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -175.591 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.48 139.07 57.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 mt -116.47 136.46 52.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -112.74 115.52 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.73 112.09 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.48 111.07 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 174.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.22 18.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.205 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.19 113.5 25.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 -174.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.99 96.36 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.228 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 94.4 t -120.33 122.48 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.194 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.37 37.72 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' T' ' 26' ' ' SER . 30.7 t -56.71 145.07 30.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 111.212 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.24 -2.13 29.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.63 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.61 -161.32 36.36 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.43 28.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.24 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.12 119.87 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 88.5 mt -127.21 130.79 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.97 123.35 2.1 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 59.1 mt -120.2 141.08 50.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.727 0.299 . . . . 0.0 111.274 -175.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.57 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 175.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -105.97 111.65 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 -176.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.52 48.71 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.68 10.44 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 97.6 t -121.44 -51.97 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.811 0.338 . . . . 0.0 111.14 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -175.623 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.772 0.32 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.43 139.04 57.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 17' ' ' LEU . . . . . 0.548 HD22 ' HB2' ' U' ' 17' ' ' LEU . 59.6 mt -116.45 136.39 53.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -112.74 115.51 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.66 112.07 20.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.201 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 110.99 13.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.39 18.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.51 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.173 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.98 96.18 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 95.9 t -120.2 122.53 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.47 -22.31 37.99 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 26' ' ' SER . . . . . 0.693 ' O ' ' HA ' ' O' ' 26' ' ' SER . 30.9 t -56.79 144.99 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.187 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.11 -2.11 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 174.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.75 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.35 36.4 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -172.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.07 149.41 28.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.223 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.11 119.88 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -127.23 130.66 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.273 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' O' ' 33' ' ' GLY . . . -142.9 123.32 2.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 175.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.631 HD22 HD12 ' U' ' 34' ' ' LEU . 58.9 mt -120.22 141.07 50.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.216 -175.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.55 11.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.91 111.62 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.42 48.76 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 -128.74 10.55 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.37 -51.99 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.154 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 -175.565 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.46 139.1 57.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.25 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' V' ' 17' ' ' LEU . 59.5 mt -116.57 136.36 53.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.191 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -112.73 115.54 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.67 112.14 20.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.206 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.6 111.0 13.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.33 18.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.111 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.29 113.55 25.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -174.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.43 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.39 122.46 68.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.43 37.52 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 26' ' ' SER . . . . . 0.57 ' HA ' ' O ' ' V' ' 26' ' ' SER . 30.7 t -56.68 145.03 30.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 111.16 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 27' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' P' ' 26' ' ' SER . 85.5 m-20 -102.12 -2.21 29.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.259 174.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.7 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 29' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' P' ' 29' ' ' GLY . . . -92.65 -161.36 36.36 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -172.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.96 149.5 28.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 111.236 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.19 119.82 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.202 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.18 130.78 71.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 33' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' P' ' 33' ' ' GLY . . . -142.96 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 175.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.2 141.08 50.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.738 0.304 . . . . 0.0 111.273 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.49 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 88.2 t -105.85 111.66 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.44 48.9 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.65 -128.62 10.44 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.51 -51.93 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.211 -175.579 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.779 0.323 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.55 139.03 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -116.42 136.38 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.242 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -112.63 115.57 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.73 112.09 20.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.02 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.24 18.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.15 113.45 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.29 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.92 96.37 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.35 122.4 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.46 -22.25 38.21 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 26' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' Q' ' 26' ' ' SER . 30.8 t -56.76 145.13 30.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 111.151 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.25 -2.16 29.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.206 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.66 176.36 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.49 -161.4 36.48 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -172.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.02 149.46 28.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.778 0.323 . . . . 0.0 111.222 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.13 119.87 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.2 130.74 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.98 123.45 2.12 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.29 141.12 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.197 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.28 106.48 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.256 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -105.92 111.64 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.17 -4.51 48.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.68 10.47 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.42 -51.95 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 111.144 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.257 -175.572 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.741 0.305 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.55 139.09 57.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 17' ' ' LEU . . . . . 0.548 ' HB2' HD22 ' R' ' 17' ' ' LEU . 59.7 mt -116.49 136.38 53.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.72 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.7 112.1 20.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.54 110.95 13.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.66 108.29 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.259 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.53 25.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.94 96.3 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.34 122.57 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 -22.39 37.74 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 26' ' ' SER . . . . . 0.693 ' O ' ' HA ' ' R' ' 26' ' ' SER . 30.6 t -56.63 145.07 29.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 111.236 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.19 -2.18 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 174.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.65 176.42 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -176.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.29 36.37 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -172.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.42 28.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.321 . . . . 0.0 111.18 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -123.12 119.81 58.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.18 130.74 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.95 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 34' ' ' LEU . . . . . 0.637 HD22 HD12 ' X' ' 34' ' ' LEU . 59.2 mt -120.19 141.12 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.236 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.47 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -105.85 111.61 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -176.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.44 48.63 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.57 -128.65 10.54 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.42 -52.01 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.178 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -175.555 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.837 0.351 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.45 139.07 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.158 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 17' ' ' LEU . . . . . 0.547 HD22 ' HB2' ' Y' ' 17' ' ' LEU . 59.5 mt -116.53 136.44 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.71 115.53 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.68 112.11 20.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.212 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.59 110.97 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.31 18.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.42 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.237 -174.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.92 96.25 4.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.245 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -120.38 122.46 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.55 -22.34 37.77 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 26' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' Y' ' 26' ' ' SER . 30.7 t -56.71 144.98 30.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 111.222 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' V' V ' 27' ' ' ASN . . . . . 0.51 ' HA ' ' HA ' ' S' ' 26' ' ' SER . 85.6 m-20 -102.09 -2.25 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 174.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.55 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.284 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 29' ' ' GLY . . . . . 0.468 ' O ' ' HA3' ' Y' ' 29' ' ' GLY . . . -92.61 -161.29 36.34 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.11 149.4 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 111.275 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.03 119.85 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.26 130.79 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.205 -176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 33' ' ' GLY . . . . . 0.542 ' O ' ' HA2' ' Y' ' 33' ' ' GLY . . . -143.03 123.33 2.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' V' V ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.17 141.18 50.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 -175.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.36 106.49 11.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -105.99 111.73 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.51 48.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.67 -128.6 10.41 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.49 -51.93 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 111.172 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 87.3 t . . . . . 0 C--O 1.199 -1.554 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 -175.593 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.54 139.11 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.48 136.37 53.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -112.71 115.57 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.69 112.04 20.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.24 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.5 111.15 14.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.8 108.27 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.22 113.54 25.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.98 96.34 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -120.34 122.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -175.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 -22.37 37.63 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 26' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' T' ' 26' ' ' SER . 30.7 t -56.66 145.04 29.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.157 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.22 -2.17 29.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 174.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.66 176.35 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 -176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.49 -161.22 36.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -172.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.17 149.4 28.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 111.234 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.07 119.85 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.21 130.74 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -176.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.99 123.39 2.11 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 59.0 mt -120.22 141.03 50.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 0.0 111.231 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.25 106.47 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.23 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.88 111.66 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.56 48.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.63 10.39 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.51 -52.01 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 111.121 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.211 -175.588 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.839 0.352 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.06 57.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.547 ' HB2' HD22 ' U' ' 17' ' ' LEU . 59.6 mt -116.49 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.7 115.53 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.74 112.06 20.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.07 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.3 18.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.26 4.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.226 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -120.28 122.56 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.28 38.1 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 26' ' ' SER . . . . . 0.691 ' O ' ' HA ' ' U' ' 26' ' ' SER . 30.8 t -56.7 145.05 30.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.21 -2.15 29.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 174.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.58 176.47 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.69 -161.29 36.3 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -172.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.47 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.178 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.09 119.94 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.32 130.66 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 34' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 34' ' ' LEU . 59.0 mt -120.17 141.11 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 111.245 -175.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.43 11.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -105.89 111.68 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.07 -4.46 48.95 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.61 -128.66 10.5 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.37 -52.03 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.349 . . . . 0.0 111.243 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.199 -1.571 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.207 -175.602 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.815 0.34 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.48 139.1 57.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 17' ' ' LEU . . . . . 0.547 ' HB2' HD22 ' V' ' 17' ' ' LEU . 59.8 mt -116.51 136.41 53.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.69 115.49 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.71 112.11 20.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 111.04 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.19 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.13 113.55 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -174.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.02 96.31 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.33 122.46 68.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.33 37.87 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 26' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' A' ' 26' ' ' SER . 30.8 t -56.63 145.02 29.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.0 111.202 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 27' ' ' ASN . . . . . 0.515 ' HA ' ' HA ' ' V' ' 26' ' ' SER . 85.6 m-20 -102.18 -2.16 29.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 174.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.7 176.45 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.18 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 29' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' V' ' 29' ' ' GLY . . . -92.57 -161.36 36.41 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -172.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.07 149.45 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 111.233 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.15 119.86 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.21 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.25 130.78 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 33' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' V' ' 33' ' ' GLY . . . -142.97 123.49 2.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 175.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 34' ' ' LEU . . . . . . . . . . . . . 59.5 mt -120.28 141.11 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.347 . . . . 0.0 111.204 -175.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.32 106.4 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 90.1 t -105.91 111.67 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -176.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.44 48.62 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.69 10.48 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.47 -51.94 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 111.166 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -175.633 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.06 57.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.173 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 59.4 mt -116.48 136.33 53.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.236 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -112.66 115.55 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.72 112.01 20.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 111.05 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.33 18.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.207 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.0 96.33 5.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -120.34 122.5 68.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.56 -22.45 37.39 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 26' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' W' ' 26' ' ' SER . 30.6 t -56.59 144.96 29.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.231 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.18 -2.01 30.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.4 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.193 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.33 36.38 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -172.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.04 149.41 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 111.268 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.09 119.92 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.27 130.67 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.215 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.97 123.43 2.12 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.24 141.1 50.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.249 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.45 11.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.88 111.71 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.229 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.1 -4.49 48.86 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.65 10.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.46 -51.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 0.0 111.168 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -175.581 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.774 0.321 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.47 139.05 57.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 59.4 mt -116.42 136.38 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.71 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.69 112.12 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.6 111.05 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 174.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.65 108.23 18.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.224 175.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.25 113.54 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.235 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.199 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -120.39 122.43 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.59 -22.46 37.3 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -56.55 144.98 29.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.13 -2.25 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 174.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.59 176.38 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.27 36.35 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -172.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.37 28.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 111.242 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.1 119.86 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.238 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.22 130.74 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.24 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.33 2.09 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.19 141.1 50.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 111.224 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.27 106.51 11.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.88 111.69 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.04 -4.38 48.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.68 -128.7 10.47 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.46 -51.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 111.217 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -175.582 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.777 0.322 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -98.08 125.02 42.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' X' ' 20' ' ' PHE . . . -134.81 117.69 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.68 130.95 23.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 174.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.96 117.26 25.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -120.91 120.15 61.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.05 27.75 73.55 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 172.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' X' ' 26' ' ' SER . 40.0 t -96.07 151.14 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.202 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -83.62 -12.84 55.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.219 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.85 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.86 160.06 38.6 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.54 147.94 35.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.24 105.27 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.46 116.99 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -171.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 110.8 1.28 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' Y' ' 34' ' ' LEU . 10.4 tt -125.66 127.34 46.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.248 -176.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.54 130.14 47.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.912 HG11 HD21 ' Y' ' 17' ' ' LEU . 2.5 p -127.26 135.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.56 10.08 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.17 51.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' Y' ' 39' ' ' VAL . 90.6 t -114.33 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.732 0.301 . . . . 0.0 111.166 172.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 C--O 1.2 -1.536 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 179.663 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.32 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -173.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.417 HD21 HG11 ' E' ' 36' ' ' VAL . 5.3 mp -123.88 135.61 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.12 125.34 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.26 116.56 20.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.04 125.0 42.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.86 117.77 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.72 130.91 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.24 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.19 25.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.24 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.82 120.15 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.211 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.12 27.75 73.55 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -96.1 151.19 19.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.191 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.61 -12.88 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.21 150.85 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 160.0 38.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.55 148.03 35.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.826 0.346 . . . . 0.0 111.193 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.31 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 -171.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.97 110.79 1.26 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.415 ' C ' HD23 ' B' ' 34' ' ' LEU . 10.4 tt -125.62 127.36 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.184 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.6 130.08 46.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.2 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.2 135.34 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.6 10.1 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.23 51.81 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -175.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.22 -56.88 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 111.231 172.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.713 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.784 0.326 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.75 142.28 35.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.564 HD21 HG11 ' F' ' 36' ' ' VAL . 5.3 mp -123.81 135.62 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.236 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.16 125.31 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.61 20.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.723 ' O ' ' HB3' ' F' ' 21' ' ' ALA . 54.0 t80 -98.04 124.96 42.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.8 117.77 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.74 130.92 23.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.23 25.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.8 120.16 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.09 27.75 73.55 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' F' ' 26' ' ' SER . 39.9 t -96.09 151.19 19.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 111.202 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.64 -12.92 55.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.178 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.11 150.83 41.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 159.99 38.6 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.95 35.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 111.149 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.31 105.28 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 176.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.44 117.1 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.91 110.76 1.26 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.406 HD23 ' C ' ' C' ' 34' ' ' LEU . 10.4 tt -125.63 127.44 46.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.165 -176.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.17 46.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.481 HG23 HG13 ' F' ' 36' ' ' VAL . 2.5 p -127.22 135.38 63.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.63 15.55 10.16 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.17 51.83 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.28 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.211 172.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.275 179.648 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.34 35.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.933 HD21 HG11 ' G' ' 36' ' ' VAL . 5.3 mp -123.89 135.53 53.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.06 125.38 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.3 116.54 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -98.02 124.92 42.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.74 117.72 16.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.73 130.88 23.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.209 174.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.94 117.33 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.93 120.11 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.79 73.57 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 172.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -96.03 151.15 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 111.199 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.65 -12.86 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.18 150.71 41.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.66 159.99 38.92 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.5 147.93 35.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.196 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.26 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.25 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.42 117.06 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.76 1.26 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' G' ' 34' ' ' LEU . 10.4 tt -125.64 127.44 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.192 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.25 135.36 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.69 15.61 10.06 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.2 51.75 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -175.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.32 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 111.161 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.284 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.84 0.353 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.7 142.36 35.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.416 HD21 HG11 ' H' ' 36' ' ' VAL . 5.3 mp -123.9 135.67 53.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.17 125.32 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.51 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.01 124.93 42.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.75 117.73 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.75 130.94 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.3 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.205 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -120.96 120.14 61.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.7 73.54 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 172.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.03 151.19 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.76 -12.79 55.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.144 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.19 150.7 41.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.233 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.62 159.91 38.91 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.48 147.97 35.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.178 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.2 105.19 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.238 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -116.36 117.02 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.246 -171.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.88 110.76 1.27 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.416 HD23 ' C ' ' E' ' 34' ' ' LEU . 10.4 tt -125.61 127.42 46.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 111.191 -176.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.13 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.417 HG11 HD21 ' B' ' 17' ' ' LEU . 2.5 p -127.29 135.35 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 15.51 10.14 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.92 -156.22 51.95 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.26 -56.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.189 172.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.834 0.349 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.86 142.3 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.566 HD21 HG11 ' I' ' 36' ' ' VAL . 5.3 mp -123.78 135.63 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -126.12 125.34 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.229 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.27 116.5 19.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.719 ' O ' ' HB3' ' I' ' 21' ' ' ALA . 53.7 t80 -98.05 125.04 42.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' C' ' 20' ' ' PHE . . . -134.8 117.82 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.94 23.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 174.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.97 117.25 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -120.83 120.07 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.205 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.25 27.62 73.53 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' I' ' 26' ' ' SER . 39.9 t -95.98 151.18 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.714 0.292 . . . . 0.0 111.236 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.66 -12.89 55.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.78 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.76 160.03 38.76 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.55 148.01 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 111.159 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.33 105.17 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.44 117.12 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 -171.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.69 1.26 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.405 HD23 ' C ' ' F' ' 34' ' ' LEU . 10.4 tt -125.56 127.33 46.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 111.285 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.51 130.03 46.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.248 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.564 HG11 HD21 ' C' ' 17' ' ' LEU . 2.5 p -127.16 135.33 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.77 15.45 10.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.88 -156.14 51.89 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -114.31 -57.01 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 0.0 111.121 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.247 179.688 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.813 0.339 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.35 35.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -173.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.928 HD21 HG11 ' J' ' 36' ' ' VAL . 5.3 mp -123.85 135.64 53.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -126.2 125.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.21 116.57 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -98.11 124.96 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.78 117.73 16.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.69 130.94 23.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.233 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -122.0 117.3 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.82 120.06 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.17 27.67 73.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -95.98 151.12 19.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 111.277 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.62 -12.88 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.241 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.78 41.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.71 159.92 38.75 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 148.0 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 111.24 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 42.3 mm -101.28 105.27 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.44 117.1 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.98 110.78 1.26 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' D' ' 34' ' ' LEU . 10.4 tt -125.68 127.4 46.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 111.186 -176.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.13 46.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.933 HG11 HD21 ' D' ' 17' ' ' LEU . 2.5 p -127.33 135.32 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.55 10.07 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.93 -156.2 51.97 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.31 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 179.701 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.854 0.359 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.34 35.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -173.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.413 HD21 HG11 ' K' ' 36' ' ' VAL . 5.3 mp -123.91 135.65 53.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.14 125.36 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 174.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.28 116.53 19.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.08 125.05 42.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.77 117.84 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.98 117.24 25.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.205 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.82 120.14 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.18 27.73 73.55 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 172.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.06 151.21 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.0 111.186 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.69 -12.83 55.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.14 150.8 41.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.81 159.98 38.6 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 147.96 35.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 0.0 111.2 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.29 105.31 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.46 117.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.81 1.27 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.411 HD23 ' C ' ' H' ' 34' ' ' LEU . 10.4 tt -125.67 127.42 46.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 111.191 -176.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.62 130.13 46.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 176.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.416 HG11 HD21 ' E' ' 17' ' ' LEU . 2.5 p -127.29 135.31 63.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.59 10.07 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.2 51.72 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.31 -56.81 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 111.201 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.698 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.783 0.325 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.68 142.29 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 -173.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.566 HD21 HG11 ' L' ' 36' ' ' VAL . 5.3 mp -123.86 135.64 53.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.204 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -126.12 125.31 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 174.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.28 116.49 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -176.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.718 ' O ' ' HB3' ' L' ' 21' ' ' ALA . 53.4 t80 -98.05 124.99 42.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' F' ' 20' ' ' PHE . . . -134.7 117.73 16.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.223 174.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.29 26.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.92 120.19 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 172.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 26' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' L' ' 26' ' ' SER . 40.0 t -96.04 151.12 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.197 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.65 -12.89 55.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.11 150.76 41.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.74 159.96 38.74 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.43 147.97 35.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 111.217 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.35 105.27 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -116.45 117.16 54.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -171.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.95 110.78 1.26 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.408 HD23 ' C ' ' I' ' 34' ' ' LEU . 10.4 tt -125.66 127.35 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -176.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.56 130.14 46.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.183 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.566 HG11 HD21 ' F' ' 17' ' ' LEU . 2.5 p -127.27 135.32 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 15.68 10.02 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.77 -156.25 51.59 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -175.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.23 -56.87 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 111.194 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 179.69 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.742 0.306 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.67 142.34 35.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.922 HD21 HG11 ' M' ' 36' ' ' VAL . 5.3 mp -123.87 135.58 53.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.298 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -126.08 125.36 67.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.34 116.56 19.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.08 124.96 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.222 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.79 117.81 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.83 130.94 23.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.92 117.18 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.243 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -120.85 120.09 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.18 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -95.98 151.2 19.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.777 0.322 . . . . 0.0 111.235 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.68 -12.86 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.216 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.84 41.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.96 38.51 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.51 148.0 35.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.222 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.29 105.25 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -116.46 117.07 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 110.85 1.28 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' M' ' 34' ' ' LEU . 10.4 tt -125.74 127.38 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 111.107 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.57 130.2 47.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.928 HG11 HD21 ' G' ' 17' ' ' LEU . 2.5 p -127.28 135.35 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.73 15.55 10.08 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.19 51.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.26 -56.94 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.16 172.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.735 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 120.861 0.362 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.73 142.25 35.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -173.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.407 HD21 HG11 ' N' ' 36' ' ' VAL . 5.3 mp -123.84 135.62 53.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -126.13 125.31 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.49 19.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -98.08 124.88 42.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.68 117.8 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.77 130.87 23.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.199 174.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.92 117.2 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -120.81 120.16 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 27.68 73.54 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 172.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.04 151.21 19.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 111.214 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.7 -12.85 55.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.14 150.81 41.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.72 159.95 38.76 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 148.01 35.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 111.209 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.28 105.23 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.09 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.73 1.26 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.412 HD23 ' C ' ' K' ' 34' ' ' LEU . 10.4 tt -125.61 127.38 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 111.239 -176.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.413 HG11 HD21 ' H' ' 17' ' ' LEU . 2.5 p -127.24 135.33 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.51 10.13 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.91 -156.17 51.95 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -175.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 90.0 t -114.32 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 111.246 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.81 142.25 35.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.567 HD21 HG11 ' O' ' 36' ' ' VAL . 5.3 mp -123.84 135.61 53.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.13 125.33 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.28 116.52 19.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 20' ' ' PHE . . . . . 0.72 ' O ' ' HB3' ' O' ' 21' ' ' ALA . 53.6 t80 -98.02 124.95 42.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 21' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' I' ' 20' ' ' PHE . . . -134.78 117.81 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.76 130.89 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.206 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.27 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -120.82 120.13 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.262 -175.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.21 27.63 73.53 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 26' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' O' ' 26' ' ' SER . 39.9 t -96.03 151.12 19.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 0.0 111.246 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.67 -12.79 55.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.89 41.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.88 159.99 38.47 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 147.98 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 111.207 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.37 116.97 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 110.82 1.28 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.408 HD23 ' C ' ' L' ' 34' ' ' LEU . 10.4 tt -125.68 127.37 46.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.348 . . . . 0.0 111.192 -176.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.6 130.15 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.566 HG11 HD21 ' I' ' 17' ' ' LEU . 2.5 p -127.2 135.35 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 15.57 10.11 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 -156.19 51.85 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.25 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 111.229 172.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.676 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 120.845 0.355 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.3 35.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.914 HD21 HG11 ' P' ' 36' ' ' VAL . 5.3 mp -123.82 135.6 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -126.21 125.26 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.25 116.51 19.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.01 124.91 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 117.78 16.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.78 130.85 23.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 174.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.87 117.33 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 97.7 t -120.88 120.13 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.66 73.53 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 172.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -95.95 151.17 19.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.212 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.69 -12.89 55.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.1 150.89 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.98 38.54 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.98 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 111.27 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.27 105.28 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.49 117.15 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.91 110.76 1.26 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' J' ' 34' ' ' LEU . 10.4 tt -125.71 127.42 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.212 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.922 HG11 HD21 ' J' ' 17' ' ' LEU . 2.5 p -127.26 135.39 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.62 15.66 10.07 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.8 -156.22 51.69 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.25 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.229 172.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.637 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.817 0.341 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.34 35.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.403 HD21 HG11 ' Q' ' 36' ' ' VAL . 5.3 mp -123.82 135.62 53.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.18 125.25 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.25 116.54 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -176.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.03 124.88 42.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.69 117.81 16.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.91 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.97 117.29 26.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.85 120.12 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.229 -174.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.78 73.56 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.1 151.21 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.16 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.66 -12.87 55.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.79 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 160.02 38.73 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.54 148.02 35.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.197 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.22 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.37 117.11 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 -171.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.82 1.27 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' N' ' 34' ' ' LEU . 10.4 tt -125.7 127.3 46.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 111.193 -176.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.48 130.14 47.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.407 HG11 HD21 ' K' ' 17' ' ' LEU . 2.5 p -127.28 135.3 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.205 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.64 10.02 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.22 51.74 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.3 -56.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 179.676 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.887 0.375 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 142.27 35.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.266 -173.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.565 HD21 HG11 ' R' ' 36' ' ' VAL . 5.3 mp -123.78 135.65 53.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.16 125.31 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.211 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.29 116.63 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 20' ' ' PHE . . . . . 0.72 ' O ' ' HB3' ' R' ' 21' ' ' ALA . 53.5 t80 -98.13 124.97 42.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' L' ' 20' ' ' PHE . . . -134.74 117.79 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.79 130.89 23.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.256 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.26 26.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.85 120.11 61.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.12 27.77 73.56 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 172.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 26' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' R' ' 26' ' ' SER . 39.7 t -96.14 151.25 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.191 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.7 -12.88 55.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.82 41.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 159.93 38.65 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.41 148.0 35.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.228 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.33 105.23 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.07 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -171.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 110.76 1.27 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.409 HD23 ' C ' ' O' ' 34' ' ' LEU . 10.4 tt -125.68 127.4 46.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 111.241 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.05 46.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.567 HG11 HD21 ' L' ' 17' ' ' LEU . 2.5 p -127.2 135.41 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.178 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.63 15.62 10.1 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.79 -156.25 51.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.24 -56.95 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.186 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.251 179.651 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.74 142.31 35.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.285 -173.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.904 HD21 HG11 ' S' ' 36' ' ' VAL . 5.3 mp -123.86 135.58 53.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.1 125.28 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 174.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.26 116.56 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.07 124.95 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.69 117.74 16.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.26 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.79 130.85 23.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.19 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.86 117.27 26.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.244 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.89 120.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -96.01 151.15 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.59 -12.86 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.18 150.85 41.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.78 159.94 38.64 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.44 147.96 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.3 105.28 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.48 117.01 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.186 -171.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 110.82 1.28 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' S' ' 34' ' ' LEU . 10.4 tt -125.68 127.41 46.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.17 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.11 46.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.914 HG11 HD21 ' M' ' 17' ' ' LEU . 2.5 p -127.24 135.45 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.61 15.53 10.19 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.95 -156.22 51.99 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' S' ' 39' ' ' VAL . 90.4 t -114.28 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.192 172.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 179.665 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.34 35.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . 0.401 HD21 HG11 ' T' ' 36' ' ' VAL . 5.3 mp -123.79 135.6 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.07 125.21 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.22 116.57 20.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.205 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.09 124.93 42.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.67 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.27 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.72 130.88 23.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.23 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.88 120.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.05 27.81 73.57 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.11 151.2 19.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.871 0.367 . . . . 0.0 111.137 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.72 -12.8 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.275 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.85 41.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.184 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.91 159.99 38.43 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 148.01 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.758 0.313 . . . . 0.0 111.212 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.43 117.05 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.182 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 110.76 1.27 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' Q' ' 34' ' ' LEU . 10.4 tt -125.65 127.4 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.735 0.303 . . . . 0.0 111.184 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.66 130.09 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . 0.403 HG11 HD21 ' N' ' 17' ' ' LEU . 2.5 p -127.17 135.33 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.74 15.6 10.04 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.18 51.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.29 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 111.208 172.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.72 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.794 0.331 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.67 142.31 35.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 17' ' ' LEU . . . . . 0.566 HD21 HG11 ' U' ' 36' ' ' VAL . 5.3 mp -123.84 135.63 53.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.12 125.29 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.56 20.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 20' ' ' PHE . . . . . 0.719 ' O ' ' HB3' ' U' ' 21' ' ' ALA . 54.0 t80 -98.08 124.88 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' O' ' 20' ' ' PHE . . . -134.68 117.82 16.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.92 117.27 26.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.92 120.18 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.08 27.74 73.55 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 172.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 26' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' O' ' 26' ' ' SER . 39.6 t -96.12 151.23 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -83.72 -12.81 55.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.21 150.8 41.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.74 159.99 38.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.97 35.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.825 0.345 . . . . 0.0 111.235 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.32 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.42 117.14 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.93 110.74 1.26 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.414 HD23 ' C ' ' R' ' 34' ' ' LEU . 10.4 tt -125.66 127.35 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 111.163 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.17 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 36' ' ' VAL . . . . . 0.565 HG11 HD21 ' O' ' 17' ' ' LEU . 2.5 p -127.24 135.25 64.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.58 10.04 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 -156.24 51.82 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -175.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.21 -56.86 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.265 172.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.198 -1.621 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.719 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.813 0.339 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.75 142.38 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 0.897 HD21 HG11 ' V' ' 36' ' ' VAL . 5.3 mp -123.87 135.6 53.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.08 125.33 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.35 116.56 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 -176.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.01 125.0 42.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.82 117.79 16.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.75 130.88 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.226 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.94 117.26 26.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.215 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 97.9 t -120.85 120.17 61.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 172.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.09 151.23 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.17 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.69 -12.84 55.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.16 150.8 41.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.208 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.99 38.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.51 148.06 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.36 105.22 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.42 117.05 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.86 110.78 1.27 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' P' ' 34' ' ' LEU . 10.4 tt -125.63 127.41 46.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.193 -176.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.09 46.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 36' ' ' VAL . . . . . 0.904 HG11 HD21 ' P' ' 17' ' ' LEU . 2.5 p -127.2 135.41 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.61 15.56 10.17 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.21 51.73 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 39' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' V' ' 39' ' ' VAL . 89.6 t -114.24 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.166 172.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.721 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.74 142.36 35.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 17' ' ' LEU . . . . . 0.404 HD21 HG11 ' W' ' 36' ' ' VAL . 5.3 mp -123.9 135.63 53.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.15 125.35 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.3 116.52 19.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -98.06 124.89 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.86 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.199 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.94 117.35 26.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 99.3 t -120.91 120.16 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.74 73.55 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 172.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.07 151.19 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.177 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.72 -12.8 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.16 150.84 41.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.75 159.95 38.69 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.45 148.01 35.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.244 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.19 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.207 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.36 117.02 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -171.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.85 110.78 1.27 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' T' ' 34' ' ' LEU . 10.4 tt -125.62 127.45 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.254 -176.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.61 130.06 46.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 36' ' ' VAL . . . . . 0.401 HG11 HD21 ' Q' ' 17' ' ' LEU . 2.5 p -127.18 135.34 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.68 15.61 10.07 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.17 51.78 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.23 -56.97 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 111.275 172.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.258 179.626 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.771 0.319 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.35 35.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.201 -173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 17' ' ' LEU . . . . . 0.563 HD21 HG11 ' X' ' 36' ' ' VAL . 5.3 mp -123.83 135.56 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -126.13 125.4 67.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.184 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.32 116.6 20.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 20' ' ' PHE . . . . . 0.717 ' O ' ' HB3' ' X' ' 21' ' ' ALA . 53.5 t80 -98.07 124.95 42.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.205 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' U' U ' 21' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' R' ' 20' ' ' PHE . . . -134.74 117.79 16.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.8 130.91 23.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.97 117.24 25.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -120.87 120.18 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.7 73.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 26' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' X' ' 26' ' ' SER . 39.8 t -96.09 151.19 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 0.0 111.192 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -83.74 -12.76 55.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.16 150.83 41.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.88 159.99 38.49 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.48 147.96 35.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 111.213 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.34 105.33 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.05 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -171.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.75 1.26 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 34' ' ' LEU . . . . . 0.416 ' C ' HD23 ' U' ' 34' ' ' LEU . 10.4 tt -125.7 127.37 46.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.24 -176.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.11 46.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 36' ' ' VAL . . . . . 0.566 HG11 HD21 ' R' ' 17' ' ' LEU . 2.5 p -127.27 135.31 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 178.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.46 10.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.84 -156.21 51.77 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.19 -56.9 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 172.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.738 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.75 0.31 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 142.29 35.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 17' ' ' LEU . . . . . 0.904 HD21 HG11 ' Y' ' 36' ' ' VAL . 5.3 mp -123.83 135.63 53.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.15 125.39 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 174.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.29 116.52 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.233 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.06 124.94 42.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.72 117.78 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.94 23.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.96 117.33 26.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.92 120.17 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -174.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 172.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.01 151.16 19.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.75 -12.74 55.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.196 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.82 41.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.79 159.98 38.65 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.56 147.96 35.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 111.203 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.23 105.27 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.242 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.44 117.07 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 -171.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.72 1.26 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' Y' ' 34' ' ' LEU . 10.4 tt -125.64 127.45 46.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 111.239 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.62 130.1 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 36' ' ' VAL . . . . . 0.897 HG11 HD21 ' S' ' 17' ' ' LEU . 2.5 p -127.19 135.3 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.73 15.59 10.05 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.85 -156.16 51.84 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 39' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' Y' ' 39' ' ' VAL . 89.2 t -114.3 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 111.195 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.191 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.773 0.321 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.76 142.34 35.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 17' ' ' LEU . . . . . 0.408 HD21 HG11 ' Z' ' 36' ' ' VAL . 5.3 mp -123.88 135.52 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -126.06 125.24 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.216 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.26 116.55 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 -176.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -98.05 124.88 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 117.8 16.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.78 130.87 23.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.89 117.23 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.85 120.17 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.11 27.74 73.55 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 172.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.11 151.24 19.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.71 -12.86 55.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.2 150.75 41.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.76 159.99 38.72 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.98 35.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.28 105.24 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.43 117.1 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -171.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.79 1.27 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' W' ' 34' ' ' LEU . 10.4 tt -125.62 127.36 46.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.234 -176.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.07 46.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 36' ' ' VAL . . . . . 0.404 HG11 HD21 ' T' ' 17' ' ' LEU . 2.5 p -127.24 135.33 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.68 15.61 10.07 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.84 -156.16 51.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.33 -56.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 0.0 111.206 172.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 179.647 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.746 0.308 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.33 35.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.246 -173.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.562 HD21 HG11 ' A' ' 36' ' ' VAL . 5.3 mp -123.86 135.57 53.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.27 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -126.08 125.34 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.51 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 20' ' ' PHE . . . . . 0.712 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 53.8 t80 -98.02 124.9 42.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 21' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' U' ' 20' ' ' PHE . . . -134.65 117.75 16.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.308 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.87 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.163 174.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.88 117.18 25.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.25 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 96.7 t -120.77 120.16 61.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 -175.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 27.63 73.52 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 26' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 26' ' ' SER . 40.0 t -95.91 151.19 19.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.762 0.315 . . . . 0.0 111.215 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.71 -12.91 55.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.12 150.78 41.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.86 160.01 38.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.93 35.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 111.181 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.15 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.34 117.09 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -171.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.77 1.27 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 34' ' ' LEU . . . . . 0.413 ' C ' HD23 ' X' ' 34' ' ' LEU . 10.4 tt -125.69 127.38 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 111.222 -176.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.17 47.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 36' ' ' VAL . . . . . 0.563 HG11 HD21 ' U' ' 17' ' ' LEU . 2.5 p -127.27 135.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.68 10.02 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.19 51.73 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.26 -56.87 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.251 179.656 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.777 0.322 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.75 142.34 35.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.259 -173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 17' ' ' LEU . . . . . 0.912 HD21 HG11 ' A' ' 36' ' ' VAL . 5.3 mp -123.89 135.6 53.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.1 125.37 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.29 116.55 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.05 124.85 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.82 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.14 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.77 130.92 23.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.246 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.96 117.24 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -120.88 120.13 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.2 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.05 151.18 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 111.159 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.66 -12.9 55.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.03 150.76 41.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.285 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 160.0 38.71 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 147.99 35.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 111.186 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.24 105.26 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -116.45 117.12 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -171.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.76 1.26 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 10.4 tt -125.64 127.42 46.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 -176.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.57 130.12 46.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 36' ' ' VAL . . . . . 0.904 HG11 HD21 ' V' ' 17' ' ' LEU . 2.5 p -127.24 135.3 63.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.62 10.08 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.89 -156.26 51.86 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -175.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 39' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' VAL . 89.5 t -114.24 -56.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 111.196 172.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 91.3 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 179.67 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.834 0.35 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.32 35.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 -173.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.84 135.64 53.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.1 125.37 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.34 116.56 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.167 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.01 124.94 42.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.237 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.75 117.77 16.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.76 131.0 23.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.99 117.28 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.2 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.86 120.17 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 172.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.05 151.24 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.239 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.73 -12.91 55.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.1 150.86 41.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 159.99 38.61 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.94 35.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 111.183 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.24 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.41 117.14 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.79 1.27 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 34' ' ' LEU . . . . . 0.413 ' C ' HD23 ' Z' ' 34' ' ' LEU . 10.4 tt -125.63 127.38 46.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.61 130.13 46.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 36' ' ' VAL . . . . . 0.408 HG11 HD21 ' W' ' 17' ' ' LEU . 2.5 p -127.27 135.38 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 15.49 10.16 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.88 -156.21 51.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.23 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 111.234 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.743 0.306 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.77 142.35 35.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.221 -173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.89 135.57 53.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.14 125.36 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.32 116.47 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.198 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -97.97 124.97 42.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.72 117.7 16.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.8 130.96 23.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.95 117.23 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.236 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.88 120.22 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -174.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.04 27.78 73.56 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.06 151.26 19.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.354 . . . . 0.0 111.168 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.75 -12.84 55.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.78 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.8 160.01 38.66 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.49 148.0 35.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.184 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.33 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -116.44 117.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.8 1.27 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tt -125.62 127.44 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.15 -176.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.69 130.13 46.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.21 135.31 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.57 10.09 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.77 -156.2 51.63 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.25 -56.9 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 111.206 172.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.191 179.705 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.813 0.34 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.59 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 173.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.22 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.42 115.95 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.91 99.21 5.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.69 125.97 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.201 -174.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.75 72.83 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 173.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.19 150.53 21.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.176 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -90.23 -3.5 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.86 158.33 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.37 11.7 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.39 21.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 111.2 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.2 125.61 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 170.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.66 122.96 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.162 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.72 107.92 0.95 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 173.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.416 ' HB2' HD22 ' Y' ' 34' ' ' LEU . 39.0 mt -112.09 123.92 51.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 111.18 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.43 126.16 41.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.6 t -112.27 121.34 64.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 177.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.61 46.5 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.75 -149.8 26.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.27 119.87 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.195 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 -176.218 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.596 ' HA ' ' OE1' ' B' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.838 0.351 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.05 34.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 tp -129.39 118.43 22.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.219 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.1 t -127.37 128.75 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.1 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.44 111.5 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 173.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.23 14.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.239 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.49 115.95 31.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.95 99.25 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.66 125.99 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.229 -174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.75 72.82 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -98.21 150.52 21.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 111.263 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.23 -3.54 57.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.195 176.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.34 44.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.93 -141.31 11.66 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -171.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.15 151.35 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.22 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.11 125.62 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 170.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.72 122.96 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -169.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.9 0.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -112.04 123.92 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 111.215 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.43 126.26 42.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.168 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 82.9 t -112.29 121.29 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.55 46.48 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.65 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.35 119.88 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.176 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -176.178 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.602 ' HA ' ' OE1' ' C' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.783 0.325 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.08 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.401 HD13 HD23 ' F' ' 17' ' ' LEU . 45.7 tp -129.46 118.44 22.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.257 176.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -127.39 128.74 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.252 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.34 121.09 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -175.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.53 111.47 23.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 173.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.24 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.39 115.9 31.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.92 99.26 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.69 125.93 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.251 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.66 72.89 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.16 150.56 21.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.2 -3.57 57.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.213 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.91 158.36 44.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.233 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.94 -141.34 11.68 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -171.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.32 21.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.15 125.62 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.242 170.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.62 122.95 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.236 -169.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.7 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.09 123.95 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.155 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.51 126.15 41.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.16 121.27 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.254 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.91 139.61 46.56 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.69 25.89 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.33 119.85 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.241 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 -176.113 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.598 ' HA ' ' OE1' ' D' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.13 34.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.5 22.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.47 128.75 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.37 121.04 32.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.39 111.51 23.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.262 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.28 106.25 14.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.98 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.211 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.96 99.29 5.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.76 125.92 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.75 72.83 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.17 150.55 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 111.221 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.29 -3.5 57.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.4 44.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.99 -141.3 11.63 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.38 21.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.19 125.54 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.59 122.95 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.241 -169.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.91 0.95 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' G' ' 34' ' ' LEU . 39.3 mt -112.09 123.99 51.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.52 126.27 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.3 121.32 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.98 139.53 46.42 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.65 -149.72 25.94 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -113.38 119.95 62.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.219 -176.176 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' E' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.816 0.341 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.6 123.16 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.42 118.48 22.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.48 128.85 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.38 121.02 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.38 111.55 24.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.275 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.22 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.45 115.91 31.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.87 99.23 5.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.67 125.97 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.212 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.89 28.66 72.87 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 173.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.1 150.56 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 111.234 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.31 -3.49 57.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.181 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.28 44.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.26 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.88 -141.32 11.68 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.11 151.32 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 111.228 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -118.09 125.6 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 170.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 122.94 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.96 0.96 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 mt -112.13 123.97 51.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 111.236 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.53 126.27 41.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 82.4 t -112.32 121.37 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.97 139.56 46.44 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.67 25.87 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.35 119.93 62.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.34 . . . . 0.0 111.172 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -176.136 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.6 ' OE1' ' HA ' ' F' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.815 0.341 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.49 123.1 35.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.243 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.401 HD23 HD13 ' C' ' 17' ' ' LEU . 45.6 tp -129.39 118.4 22.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 75.1 t -127.35 128.71 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.12 33.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.49 111.58 24.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.29 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.98 31.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.199 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.87 99.21 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -128.71 125.98 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.65 72.9 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.1 150.59 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.221 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.31 -3.51 57.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.37 44.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.28 11.61 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -171.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.32 21.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.211 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.15 125.62 74.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 170.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.65 122.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.94 0.95 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 38.7 mt -112.08 123.85 51.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 111.234 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.4 126.22 42.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.255 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.25 121.28 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.195 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.9 139.53 46.54 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.69 -149.71 25.92 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.27 119.88 61.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 -176.269 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.596 ' HA ' ' OE1' ' G' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.851 0.357 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.56 123.06 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.46 118.51 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.45 128.75 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.255 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.0 32.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.5 23.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.22 106.17 14.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.38 115.9 31.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.219 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.85 99.24 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -128.72 125.9 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.18 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 28.65 72.87 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.09 150.64 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.2 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.33 -3.54 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.98 158.31 44.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.92 -141.33 11.68 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.36 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 111.241 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.17 125.57 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.211 170.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.59 123.0 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 107.94 0.95 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.413 HD22 ' HB2' ' J' ' 34' ' ' LEU . 39.1 mt -112.14 123.93 51.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 111.178 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.49 126.17 41.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 82.8 t -112.22 121.22 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.88 139.61 46.61 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.77 -149.66 25.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 79.3 t -113.37 119.88 61.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.132 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.199 -1.604 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.262 -176.28 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' H' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.55 123.06 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.193 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 tp -129.39 118.52 22.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 76.2 t -127.47 128.73 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 121.14 33.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.44 111.51 23.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.29 106.13 14.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.38 115.84 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.283 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.83 99.33 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -128.74 125.95 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.79 28.62 72.95 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.56 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 111.188 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.18 -3.65 57.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.78 158.41 44.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.219 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.03 -141.33 11.65 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -171.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.34 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.13 125.68 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 170.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.72 122.99 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -170.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.69 107.87 0.95 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 173.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.07 123.85 51.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.231 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.42 126.21 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.2 121.31 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.6 46.59 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.75 25.97 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 78.8 t -113.35 119.93 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.507 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.199 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.601 ' HA ' ' OE1' ' I' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.855 0.36 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.49 123.09 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.217 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.4 HD13 HD23 ' L' ' 17' ' ' LEU . 45.5 tp -129.47 118.48 22.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 176.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.37 128.72 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.262 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.03 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.257 -175.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.55 24.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.264 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.26 14.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.48 115.82 31.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.81 99.22 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.76 125.94 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -174.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.79 28.73 72.87 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.17 150.56 21.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.33 -3.43 57.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.4 44.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.35 11.67 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.29 21.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.236 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.16 125.68 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 170.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.63 122.94 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.245 -170.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.9 0.95 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.09 123.96 51.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 111.195 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.45 126.17 41.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 81.1 t -112.11 121.31 64.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.01 139.56 46.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.66 -149.7 25.91 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.28 119.92 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.141 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.201 -1.466 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -176.251 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.595 ' HA ' ' OE1' ' J' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.13 35.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.49 118.49 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 74.5 t -127.41 128.73 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.03 32.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.51 23.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.29 106.26 14.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.89 31.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.92 99.27 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 92.5 t -128.7 125.94 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -174.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.87 28.61 72.92 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.09 150.56 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.193 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.22 -3.57 57.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.22 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.87 158.36 44.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.35 11.66 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -171.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.34 21.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.16 125.63 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 170.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 123.07 70.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -169.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.96 0.95 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.413 ' HB2' HD22 ' G' ' 34' ' ' LEU . 39.3 mt -112.12 123.99 51.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 64.9 ttp -127.54 126.24 41.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 82.2 t -112.26 121.22 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.84 139.59 46.67 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.68 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 77.8 t -113.26 119.92 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 0.0 111.19 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -176.182 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' K' K ' 15' ' ' GLN . . . . . 0.6 ' OE1' ' HA ' ' K' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.56 123.08 34.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.215 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.43 118.43 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.206 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.46 128.78 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.04 32.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.39 111.52 23.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.32 106.26 14.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.9 31.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.9 99.26 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.211 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.7 125.94 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.287 -174.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.72 72.82 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 173.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.18 150.54 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 111.196 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.22 -3.6 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.94 158.31 44.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.87 -141.4 11.74 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -171.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.42 21.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 111.22 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.23 125.64 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.69 123.02 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 107.91 0.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 39.4 mt -112.1 123.92 51.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.134 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.21 42.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.21 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 82.4 t -112.25 121.35 64.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.06 139.61 46.33 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.68 -149.67 25.86 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.3 119.91 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.181 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.207 -176.196 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' L' L ' 15' ' ' GLN . . . . . 0.601 ' HA ' ' OE1' ' L' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.876 0.37 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.13 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.4 HD23 HD13 ' I' ' 17' ' ' LEU . 45.5 tp -129.44 118.52 22.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 176.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -127.52 128.79 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.42 121.05 32.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.43 111.51 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.31 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.52 115.97 31.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.96 99.29 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.73 125.94 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.25 -174.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.7 72.87 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.56 21.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.768 0.318 . . . . 0.0 111.233 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.22 -3.56 57.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.34 44.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.88 -141.34 11.69 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -171.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.18 151.29 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 111.193 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.07 125.59 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 170.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.6 122.99 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.9 0.95 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.11 123.89 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.25 42.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.192 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 82.3 t -112.21 121.39 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.02 139.61 46.39 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.76 -149.77 25.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.23 119.93 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 111.2 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -176.222 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' M' M ' 15' ' ' GLN . . . . . 0.592 ' HA ' ' OE1' ' M' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.784 0.326 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.06 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.48 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.38 128.73 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.221 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.31 121.03 32.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.53 24.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.19 106.22 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.46 115.91 31.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.82 99.28 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.74 125.98 64.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.68 72.89 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 173.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.13 150.53 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 111.191 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.15 -3.59 57.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.35 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 -141.34 11.69 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -171.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.1 151.41 21.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 0.0 111.248 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.16 125.67 74.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 170.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.63 122.92 70.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -169.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.75 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.414 HD22 ' HB2' ' P' ' 34' ' ' LEU . 38.9 mt -112.07 123.95 51.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 111.191 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.49 126.29 41.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 82.1 t -112.29 121.32 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.61 46.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.78 -149.7 25.89 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.27 119.89 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 111.223 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.246 -176.248 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' N' N ' 15' ' ' GLN . . . . . 0.602 ' HA ' ' OE1' ' N' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.787 0.327 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.59 123.1 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.206 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.38 118.44 22.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.213 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.39 128.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.228 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.41 121.04 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.167 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.53 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 173.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.25 14.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.96 31.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.93 99.32 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.7 125.92 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.77 72.82 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.19 150.51 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.18 -3.56 57.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.4 44.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.01 -141.29 11.62 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -171.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.18 151.41 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 111.169 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.19 125.61 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.54 123.04 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.233 -170.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.76 107.95 0.95 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.15 123.92 51.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 111.188 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.46 126.21 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.212 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.23 121.28 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.91 139.56 46.54 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.75 -149.72 25.92 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 77.9 t -113.28 119.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.183 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.199 -1.585 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.227 -176.212 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' O' O ' 15' ' ' GLN . . . . . 0.598 ' HA ' ' OE1' ' O' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.61 123.12 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.4 HD23 HD13 ' L' ' 17' ' ' LEU . 45.8 tp -129.44 118.44 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.48 128.84 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.44 121.04 32.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.5 111.58 24.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.205 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.23 14.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.214 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.49 115.99 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.91 99.25 5.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.197 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.69 125.9 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 28.74 72.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 173.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.18 150.54 21.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.684 0.278 . . . . 0.0 111.234 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.13 -3.68 57.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.253 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.84 158.31 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 -141.33 11.68 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -171.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.17 151.32 21.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.14 125.6 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 170.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.66 122.96 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 -169.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 107.93 0.95 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 mt -112.02 123.9 51.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.781 0.324 . . . . 0.0 111.224 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.43 126.24 42.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.236 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.17 121.28 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 139.62 46.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.77 -149.71 25.9 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.29 119.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 111.184 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.265 -176.241 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 15' ' ' GLN . . . . . 0.589 ' OE1' ' HA ' ' P' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.51 123.09 35.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 tp -129.48 118.38 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.231 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.42 128.82 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.199 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.37 120.99 32.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.42 111.5 23.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.245 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.16 106.2 14.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.93 31.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.204 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.88 99.14 5.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.73 125.93 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.192 -174.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.78 72.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 173.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.16 150.52 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.324 . . . . 0.0 111.203 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.26 -3.51 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.225 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.36 44.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.36 11.69 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.31 21.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 111.209 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.12 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.65 122.93 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.173 -169.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.88 0.95 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.414 ' HB2' HD22 ' M' ' 34' ' ' LEU . 39.0 mt -112.06 123.9 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 111.211 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.22 42.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -112.27 121.36 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.99 139.64 46.46 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.74 -149.72 25.92 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 78.0 t -113.32 119.91 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.212 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -176.195 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' Q' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.848 0.356 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.12 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.201 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.49 118.52 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -127.47 128.76 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.4 121.0 32.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 -175.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.36 111.48 23.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.252 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.34 14.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.57 115.96 31.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.88 99.21 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.232 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.67 125.89 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.91 28.67 72.84 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.19 150.56 21.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 111.153 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.24 -3.52 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.36 44.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.0 -141.33 11.66 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -171.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.3 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 111.23 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.17 125.66 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 170.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.61 122.99 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 -169.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.89 0.95 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.05 123.94 51.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 111.162 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.5 126.22 41.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.255 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 85.1 t -112.32 121.28 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 139.56 46.61 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.76 -149.76 25.97 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.26 119.92 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 111.248 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -176.145 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' R' R ' 15' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' R' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.809 0.338 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.61 123.11 34.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 17' ' ' LEU . . . . . 0.401 HD13 HD23 ' U' ' 17' ' ' LEU . 45.7 tp -129.42 118.49 22.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.209 176.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.48 128.8 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.42 121.03 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.156 -175.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.4 111.52 23.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.29 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.46 115.85 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 175.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.84 99.28 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.71 125.92 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -174.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 28.74 72.84 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.18 150.56 21.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 111.258 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -90.22 -3.57 57.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.37 44.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.97 -141.36 11.69 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -171.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.06 151.36 21.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.14 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.16 125.58 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.249 170.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.58 123.06 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -169.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.84 107.92 0.94 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 39.0 mt -112.09 123.94 51.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.196 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.52 126.24 41.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.3 121.36 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.98 139.58 46.44 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.71 -149.72 25.93 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.32 119.85 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 111.247 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.2 -1.534 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -176.162 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' S' S ' 15' ' ' GLN . . . . . 0.584 ' HA ' ' OE1' ' S' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.6 123.12 34.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.237 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.4 118.55 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.51 128.72 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.08 32.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.195 -175.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.53 24.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 173.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.34 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.56 115.96 31.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.83 99.25 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -128.73 125.98 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -174.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.7 72.84 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -98.24 150.56 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.176 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.19 -3.52 57.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.94 158.32 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.98 -141.39 11.71 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -171.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.06 151.38 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 111.182 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.19 125.64 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 170.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.67 122.98 70.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -169.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.81 107.94 0.95 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 34' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' V' ' 34' ' ' LEU . 39.1 mt -112.07 123.92 51.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.786 0.326 . . . . 0.0 111.188 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.48 126.2 41.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 83.6 t -112.25 121.22 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.83 139.53 46.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.73 -149.71 25.92 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 76.7 t -113.32 119.92 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 111.26 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 -176.122 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' T' T ' 15' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' T' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.55 123.05 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.236 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.48 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 74.2 t -127.4 128.76 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.231 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.38 121.0 32.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.267 -175.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.37 111.49 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.22 106.3 14.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.204 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.55 115.9 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.22 175.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.82 99.25 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.253 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.69 125.92 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.68 72.88 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.2 150.55 21.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.233 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.13 -3.66 57.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.231 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.8 158.36 44.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.91 -141.36 11.71 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -171.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.08 151.31 21.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 111.218 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.12 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.231 170.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.57 123.05 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.247 -170.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.91 0.95 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.05 123.92 51.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.47 126.23 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 83.4 t -112.2 121.26 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.62 46.5 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.74 -149.72 25.93 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.28 119.9 61.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.773 0.321 . . . . 0.0 111.236 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -176.217 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' U' U ' 15' ' ' GLN . . . . . 0.596 ' OE1' ' HA ' ' U' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.809 0.338 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.5 123.06 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 17' ' ' LEU . . . . . 0.402 HD13 HD23 ' X' ' 17' ' ' LEU . 45.5 tp -129.36 118.5 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 176.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.5 128.72 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.218 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.35 120.99 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.36 111.52 23.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.264 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.28 14.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.95 31.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.89 99.3 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.8 125.89 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 -174.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.93 28.72 72.8 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.22 150.55 21.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.23 -3.6 57.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.4 44.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.37 11.68 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -171.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.05 151.4 21.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.782 0.325 . . . . 0.0 111.229 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.18 125.62 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.63 123.0 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -169.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.14 123.96 51.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.353 . . . . 0.0 111.183 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.5 126.26 41.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.29 121.3 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 139.61 46.63 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.8 -149.66 25.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 77.3 t -113.29 119.88 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -176.179 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' V' V ' 15' ' ' GLN . . . . . 0.582 ' HA ' ' OE1' ' V' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.1 34.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.32 118.49 22.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 75.6 t -127.5 128.79 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.01 32.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.244 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.48 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.2 106.21 14.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.271 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.48 115.84 31.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.174 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.87 99.3 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.79 125.89 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.86 28.72 72.84 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.52 21.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.314 . . . . 0.0 111.205 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.26 -3.41 57.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.2 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.95 158.36 44.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.3 11.64 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.16 151.36 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.19 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 97.3 mt -118.18 125.64 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 170.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 122.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -169.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.74 107.95 0.95 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 34' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' Y' ' 34' ' ' LEU . 39.3 mt -112.08 123.91 51.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.229 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.49 126.23 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 83.3 t -112.24 121.28 64.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.211 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.88 139.6 46.61 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.78 -149.83 26.07 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.18 119.85 61.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 111.254 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -176.218 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' W' W ' 15' ' ' GLN . . . . . 0.597 ' HA ' ' OE1' ' W' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.728 0.299 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.61 123.09 34.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 tp -129.36 118.41 22.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 76.0 t -127.41 128.79 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.31 121.09 32.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.5 23.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 173.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.3 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.52 115.9 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.85 99.3 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.75 125.91 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.258 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.8 72.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.21 150.5 21.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.345 . . . . 0.0 111.172 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.16 -3.63 57.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.206 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.88 158.38 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.28 11.63 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.15 151.39 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.22 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.22 125.54 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 170.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.64 122.98 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.7 107.95 0.95 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 173.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.1 123.88 51.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.748 0.309 . . . . 0.0 111.209 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.42 126.29 42.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -112.33 121.3 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.64 46.61 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 77.2 t -113.26 119.89 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 111.234 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -176.204 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 15' ' ' GLN . . . . . 0.593 ' HA ' ' OE1' ' X' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.48 123.1 35.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.402 HD23 HD13 ' U' ' 17' ' ' LEU . 45.7 tp -129.39 118.49 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 176.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -127.52 128.75 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 120.96 32.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.187 -175.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.32 111.44 23.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.264 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.21 106.26 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.229 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.44 115.91 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.94 99.26 5.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.72 125.93 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.21 -174.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.7 72.84 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.21 150.57 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.207 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.19 -3.57 57.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.88 158.41 44.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.05 -141.37 11.67 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -171.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.05 151.34 21.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 111.24 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.14 125.64 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.68 123.01 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 -169.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.76 107.88 0.95 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 173.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.03 123.93 51.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 111.213 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 64.9 ttp -127.55 126.29 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -112.22 121.31 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.132 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 139.56 46.53 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.66 -149.74 25.96 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.29 119.92 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.201 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -176.228 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' Y' Y ' 15' ' ' GLN . . . . . 0.581 ' HA ' ' OE1' ' Y' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.924 0.393 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.13 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 tp -129.46 118.41 22.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.38 128.72 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.237 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 121.0 32.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.6 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.28 106.27 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.47 115.88 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.85 99.27 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.76 125.94 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -174.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 28.74 72.84 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 173.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.11 150.56 21.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.192 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.25 -3.57 57.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.4 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.205 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.03 -141.33 11.65 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -171.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.39 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 111.273 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -118.19 125.63 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 170.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.67 123.07 70.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 107.98 0.95 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 34' ' ' LEU . . . . . 0.418 ' HB2' HD22 ' V' ' 34' ' ' LEU . 38.9 mt -112.11 123.91 51.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.334 . . . . 0.0 111.195 -178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.47 126.2 41.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.2 121.34 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.9 139.5 46.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.75 25.97 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 77.5 t -113.24 119.87 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.23 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.145 -176.172 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' Z' Z ' 15' ' ' GLN . . . . . 0.595 ' OE1' ' HA ' ' Z' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.852 0.358 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.57 123.11 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.39 118.44 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.233 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -127.43 128.73 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.05 32.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.219 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.59 24.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.33 106.24 14.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.44 115.86 31.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.228 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.86 99.34 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.209 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.79 125.9 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 -174.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.73 72.86 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.14 150.62 21.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.737 0.303 . . . . 0.0 111.193 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.29 -3.55 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.38 44.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.29 11.64 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -171.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.35 21.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.21 125.68 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 170.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.66 122.97 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.99 0.95 Allowed Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 mt -112.09 123.95 51.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.52 126.15 41.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.224 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.19 121.28 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.81 139.56 46.71 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.7 -149.77 25.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.27 119.93 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.272 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -176.112 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.82 0.343 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.56 123.13 35.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 tp -129.39 118.46 22.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.24 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.47 128.78 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.41 121.04 32.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.37 111.57 24.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.33 106.19 14.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.37 115.94 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.94 99.28 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 93.0 t -128.71 125.92 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.75 72.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 173.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.24 150.61 21.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 111.13 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.27 -3.55 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.166 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.86 158.37 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.36 11.69 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -171.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.14 151.29 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.13 125.62 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.196 170.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.65 122.97 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.74 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.09 123.99 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.185 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.48 126.13 41.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.264 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.2 121.34 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.97 139.57 46.45 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.72 25.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.33 119.88 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.196 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.255 -176.226 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.743 0.306 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.9 124.78 53.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 175.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.59 17.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.91 26.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.43 110.14 19.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.9 t -121.01 117.9 54.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 -172.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.72 3.15 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 170.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 t -136.92 147.58 46.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.191 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.97 -15.29 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.256 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -131.0 154.55 48.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.68 42.54 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.25 162.52 12.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.173 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.71 113.02 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.55 108.92 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.17 136.01 8.14 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.52 133.65 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 111.261 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.05 176.26 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 172.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -108.66 -61.22 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.175 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.81 25.38 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.29 16.12 65.22 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.26 153.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 111.226 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.213 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.44 126.33 22.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.91 131.22 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.63 106.82 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.22 111.03 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.216 -170.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.92 124.81 53.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.62 17.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.241 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.4 136.84 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.42 110.19 19.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 81.0 t -121.0 117.88 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.257 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.51 62.69 3.16 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.82 147.55 46.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.9 -15.5 58.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.82 154.67 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.67 42.51 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.23 162.64 12.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.345 . . . . 0.0 111.155 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -100.75 113.03 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.55 108.88 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 -173.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.07 8.18 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.441 HD13 HD23 ' E' ' 34' ' ' LEU . 39.6 tp -129.52 133.72 47.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 173.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.17 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -108.69 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.81 25.37 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.37 16.05 65.19 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -79.29 153.43 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.194 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.245 179.166 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.41 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.94 131.16 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -105.55 106.85 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.29 110.98 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 -170.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.96 124.87 53.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.157 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.64 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.88 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.219 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.47 110.25 19.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 83.9 t -121.05 117.98 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 -172.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.45 62.76 3.14 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.82 147.59 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 0.0 111.183 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.08 -15.32 58.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.88 154.63 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.65 42.49 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.68 12.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 0.0 111.229 -177.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.81 113.0 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.52 108.98 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.08 8.18 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.56 133.67 47.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 173.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.22 9.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -108.65 -61.17 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.27 -165.92 25.35 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.42 16.06 65.07 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -79.23 153.37 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 111.275 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 179.183 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.779 0.323 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.48 126.32 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.249 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -107.94 131.31 54.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 68.8 t -105.71 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -116.34 111.05 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 -170.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.93 124.82 53.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.59 17.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.211 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.32 136.86 26.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.247 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.17 19.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 81.6 t -121.03 117.87 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 -172.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.57 62.73 3.13 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 170.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.86 147.54 46.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.749 0.309 . . . . 0.0 111.196 -175.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.04 -15.31 58.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.9 154.63 47.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.248 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.69 161.66 42.54 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.24 162.57 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 111.283 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -100.75 113.09 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.5 108.95 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.183 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.24 135.96 8.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.49 133.69 47.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 111.215 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.15 9.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.241 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.66 -61.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.26 -165.77 25.38 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.26 16.12 65.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.23 153.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 111.222 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.181 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.356 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.38 22.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.232 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.93 131.25 54.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.6 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.34 111.0 19.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 -170.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.89 124.8 53.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.235 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.66 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.38 136.9 26.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.47 110.22 19.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 81.7 t -121.04 117.9 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -172.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.69 3.16 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 170.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.85 147.55 46.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.97 -15.44 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.155 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.85 154.68 47.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.212 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.73 161.66 42.45 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.63 12.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.263 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.69 113.03 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.56 108.89 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.2 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.03 8.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.443 HD13 HD23 ' H' ' 34' ' ' LEU . 39.2 tp -129.48 133.81 47.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.136 173.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.23 176.14 9.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.183 172.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 90.1 t -108.54 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.216 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.78 25.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.26 16.17 65.17 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.31 153.37 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 111.19 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.292 179.094 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.76 0.314 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.44 22.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.97 131.29 54.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -105.58 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.31 110.96 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 -170.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.86 124.86 53.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.202 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.59 16.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.201 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.92 26.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.46 110.1 19.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 82.2 t -120.93 117.97 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -172.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.43 62.76 3.14 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.55 46.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 0.0 111.218 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.31 58.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.9 154.66 47.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.69 42.54 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.58 12.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.749 0.309 . . . . 0.0 111.261 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.68 112.99 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.55 108.96 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 -173.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.46 133.67 47.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 111.2 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.07 176.18 9.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.259 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.65 -61.19 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.25 -165.87 25.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.03 65.27 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.17 153.45 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 111.233 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.212 179.14 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.749 0.309 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.44 126.42 22.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.98 131.22 54.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 69.4 t -105.59 106.77 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 175.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.24 110.93 19.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.86 124.82 53.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.244 175.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.79 125.63 17.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.236 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.41 136.91 26.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.45 110.21 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -121.06 118.02 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.41 62.7 3.17 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 170.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.79 147.59 46.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 111.254 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.38 58.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.8 154.65 47.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.74 161.74 42.51 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.6 12.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.185 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.75 113.04 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 -173.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.29 135.95 8.09 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.5 133.71 47.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 111.209 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.06 176.19 9.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.67 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.22 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.76 25.38 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.34 16.04 65.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.22 153.33 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.203 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.49 126.41 22.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.01 131.31 54.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -105.66 106.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.27 110.99 19.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.93 124.77 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.59 17.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.256 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.36 136.93 26.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.47 110.17 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 82.8 t -120.96 117.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.51 62.69 3.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 170.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.89 147.62 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 111.123 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.09 -15.3 58.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.234 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.87 154.62 47.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.74 42.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.56 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 111.206 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.72 113.08 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.56 108.99 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.95 8.09 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.443 HD23 HD13 ' E' ' 34' ' ' LEU . 39.3 tp -129.48 133.74 47.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 111.183 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.16 176.12 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 172.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 88.6 t -108.6 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.33 -165.79 25.39 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.09 65.2 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.25 153.38 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.322 . . . . 0.0 111.192 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 179.14 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.737 0.303 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.52 126.39 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.24 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.91 131.25 54.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -105.64 106.77 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.19 111.03 19.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.268 -170.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.97 124.84 53.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.64 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.9 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.46 110.14 19.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 82.1 t -120.99 117.88 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.233 -172.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.62 62.73 3.12 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 170.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.92 147.55 46.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 -175.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.01 -15.44 58.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.85 154.67 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.66 161.7 42.63 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.29 162.67 12.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 0.0 111.24 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -100.72 112.96 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.276 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 -173.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.0 8.13 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.45 133.63 47.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 111.263 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.08 176.17 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.257 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.57 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.21 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.79 25.38 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.04 65.23 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.18 153.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 111.206 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.155 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.42 126.4 22.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.238 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.97 131.29 54.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.68 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.19 110.92 19.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.239 -170.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.88 124.83 53.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.228 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.78 125.61 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 174.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.4 136.89 26.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.205 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.46 110.21 19.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 81.3 t -121.02 117.88 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -172.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.82 3.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.9 147.6 46.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.759 0.314 . . . . 0.0 111.223 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.05 -15.37 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.6 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.65 161.74 42.69 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.33 162.54 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.179 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.1 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.56 108.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 -173.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.07 8.17 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.61 133.67 47.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.197 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.23 9.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 172.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -108.66 -61.3 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.35 -165.84 25.39 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.38 16.05 65.16 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -79.22 153.4 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 111.187 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.191 179.163 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.853 0.359 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.35 22.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.91 131.28 54.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.265 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -105.62 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.06 19.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -170.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.99 124.84 53.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.55 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.281 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.28 136.92 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.178 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.44 110.14 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.97 117.88 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 -172.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.8 3.12 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.9 147.61 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 111.182 -175.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.07 -15.38 58.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.61 47.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.64 42.51 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.61 12.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.76 113.06 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.57 108.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 -173.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.05 8.16 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.441 HD23 HD13 ' H' ' 34' ' ' LEU . 39.4 tp -129.55 133.7 47.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.186 173.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.11 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.64 -61.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.251 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.22 -165.82 25.36 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.32 16.08 65.24 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.22 153.39 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.181 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.144 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.783 0.325 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.54 126.41 22.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.224 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 46.2 mt -107.94 131.27 54.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.199 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 68.1 t -105.66 106.94 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.38 110.92 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.205 -170.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.83 124.8 53.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.229 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 125.56 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 174.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.29 136.88 26.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -113.51 110.18 19.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 80.1 t -120.94 117.86 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 -172.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.81 3.11 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.95 147.57 46.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 111.138 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.36 58.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.72 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.233 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.7 42.55 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.36 162.54 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.06 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.53 108.94 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -173.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.04 8.16 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 39.4 tp -129.52 133.72 47.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 111.172 173.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.17 176.17 9.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 172.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.7 -61.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.21 -165.84 25.35 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.28 16.16 65.16 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.28 153.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.137 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.32 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.232 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.91 131.17 54.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -105.59 106.92 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.39 111.08 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -170.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -111.91 124.92 53.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.201 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.89 125.63 16.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 174.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.37 136.92 26.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.53 110.17 19.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 81.2 t -120.96 117.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.55 62.68 3.15 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.84 147.55 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 111.23 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.9 -15.48 58.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.252 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.85 154.6 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.212 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.68 161.7 42.6 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.66 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.138 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.78 113.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.58 108.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.213 -173.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 135.97 8.11 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.49 133.75 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 111.097 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.14 176.25 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.74 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.29 -165.83 25.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.01 65.36 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.21 153.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.212 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.2 -1.548 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.226 179.165 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.777 0.323 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.41 126.35 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.97 131.36 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.6 106.85 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 175.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.31 111.07 19.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -170.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.98 124.88 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.92 125.67 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 173.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.91 26.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.204 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.53 110.25 19.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.207 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 81.4 t -120.99 117.97 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.213 -172.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.71 3.16 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.86 147.51 46.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 -175.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.97 -15.36 58.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.91 154.59 47.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.73 42.72 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 162.61 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -177.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.76 113.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.58 108.86 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -173.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.08 8.18 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.438 HD23 HD13 ' K' ' 34' ' ' LEU . 39.5 tp -129.54 133.63 47.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 173.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.09 176.23 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 172.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.66 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.83 25.36 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.09 65.13 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.25 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.167 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.83 0.348 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.45 126.4 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.9 131.15 54.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -105.51 106.82 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 175.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.26 111.06 19.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.211 -170.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -111.97 124.82 53.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.69 17.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.4 136.85 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.228 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.45 110.15 19.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.192 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.0 117.9 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -172.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.63 3.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 170.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.55 46.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.235 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.98 -15.47 58.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.8 154.63 47.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.267 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.73 42.69 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.63 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.821 0.344 . . . . 0.0 111.199 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.83 113.09 35.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.61 109.05 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.32 135.98 8.11 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.47 133.73 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 0.0 111.196 173.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.16 176.2 9.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -108.64 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.23 -165.91 25.34 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.37 16.18 64.92 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.33 153.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.205 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.502 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 179.179 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.34 22.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.92 131.26 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.25 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.65 106.87 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.37 111.06 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -170.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -111.91 124.82 53.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.224 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.78 125.73 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 173.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.43 136.87 26.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.45 110.21 19.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.04 117.95 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.44 62.78 3.14 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.87 147.57 46.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.4 58.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.202 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.92 154.67 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.65 42.64 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.29 162.63 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.718 0.294 . . . . 0.0 111.218 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.7 113.08 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.56 108.87 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.51 133.69 47.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.196 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.17 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -108.67 -61.11 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.19 -165.85 25.34 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.41 16.09 65.03 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.31 153.35 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.791 0.329 . . . . 0.0 111.183 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--O 1.201 -1.449 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.787 0.327 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.36 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.94 131.24 54.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.276 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -105.55 106.73 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.23 110.91 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 -170.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.86 124.81 53.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.231 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.65 17.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.274 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.41 136.86 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.217 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.14 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 82.7 t -120.93 117.91 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 -172.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.81 3.12 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 170.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.86 147.53 46.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.774 0.321 . . . . 0.0 111.18 -175.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.95 -15.5 58.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.78 154.61 47.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.23 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.62 161.74 42.76 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.61 12.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.321 . . . . 0.0 111.222 -177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.74 113.07 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.202 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.57 108.86 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.239 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.26 135.95 8.1 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . 0.439 HD13 HD23 ' T' ' 34' ' ' LEU . 39.4 tp -129.49 133.73 47.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 173.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.2 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.176 172.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 89.4 t -108.69 -61.03 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.251 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.16 -165.83 25.34 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.34 16.06 65.24 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.29 153.41 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.855 0.359 . . . . 0.0 111.206 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.246 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.38 22.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.95 131.19 54.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.55 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.26 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.26 110.98 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 -170.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.94 124.89 53.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 125.64 17.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 174.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.34 136.85 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.4 110.15 19.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.03 117.95 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.183 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.44 62.73 3.15 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.88 147.59 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.92 -15.46 58.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.193 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.86 154.72 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.85 161.73 42.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.61 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -100.65 113.04 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.55 108.97 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -173.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.21 135.98 8.12 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.49 133.66 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 111.215 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.18 9.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 172.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 89.5 t -108.65 -61.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.32 -165.8 25.39 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.31 16.08 65.25 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.24 153.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 111.107 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.201 -1.454 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.238 179.075 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.44 22.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 17' ' ' LEU . . . . . . . . . . . . . 46.1 mt -108.02 131.2 54.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.58 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.32 110.99 19.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -170.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.93 124.78 53.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.227 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.77 125.7 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 173.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.89 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.41 110.07 19.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 81.9 t -120.92 117.86 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.249 -172.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.73 3.14 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 170.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 39.6 t -136.84 147.58 46.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.147 -175.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.39 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.6 47.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.212 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.59 161.65 42.73 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.63 12.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.76 113.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 175.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.01 8.13 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.47 133.7 47.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 111.198 173.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.25 9.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.68 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.86 25.35 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.14 65.03 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.28 153.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.199 -1.581 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.211 179.111 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.57 126.41 22.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.99 131.35 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.67 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.26 111.05 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 -170.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -111.96 124.82 53.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.271 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.81 125.61 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.21 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.36 136.89 26.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.15 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 82.5 t -121.01 117.89 54.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -172.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.47 62.71 3.16 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.79 147.66 46.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.1 -15.37 58.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.84 154.63 47.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.71 42.56 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.55 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 0.0 111.153 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 82.1 mt -100.74 113.08 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.186 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.52 108.94 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.212 -173.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.26 135.98 8.11 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 34' ' ' LEU . . . . . 0.445 HD13 HD23 ' W' ' 34' ' ' LEU . 39.2 tp -129.56 133.69 47.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 0.0 111.181 173.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.05 176.23 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 172.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.65 -61.21 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.246 174.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.86 25.36 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.35 16.22 64.87 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.31 153.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 111.155 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 179.124 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.849 0.357 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.42 22.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.04 131.26 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 67.5 t -105.59 106.79 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.206 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.23 111.02 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 -170.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.97 124.85 53.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.6 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 174.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.33 136.83 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.39 110.11 19.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.243 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 82.3 t -120.95 117.92 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.4 62.81 3.13 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.89 147.6 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.733 0.301 . . . . 0.0 111.199 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.97 -15.43 58.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.86 154.69 47.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.71 42.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 162.65 12.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.75 0.309 . . . . 0.0 111.187 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -100.75 113.0 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.263 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.46 108.94 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.245 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.31 136.01 8.12 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.49 133.69 47.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.321 . . . . 0.0 111.218 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.15 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.209 172.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.59 -61.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.249 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.27 -165.81 25.37 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.32 16.12 65.14 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -79.26 153.38 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.2 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 179.174 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.4 22.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.94 131.24 54.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 68.2 t -105.61 106.81 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.21 111.05 19.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.238 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -112.01 124.85 53.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.247 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.81 125.61 17.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.223 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.35 136.92 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.48 110.15 19.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -120.94 117.91 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.206 -172.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.63 3.18 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 170.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.8 147.62 46.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 111.2 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.02 -15.34 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.91 154.67 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.7 42.54 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.55 12.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.74 113.07 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.52 108.9 25.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 -173.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.29 135.96 8.1 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.43 133.68 47.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.209 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.08 176.17 9.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.61 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.83 25.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.04 65.22 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.25 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 0.0 111.187 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.135 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.841 0.353 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.41 126.39 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 mt -107.99 131.24 54.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.66 106.91 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.02 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.96 124.79 53.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.66 17.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.35 136.92 26.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -113.48 110.12 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.25 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 82.3 t -120.96 117.93 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -172.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.79 3.13 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.82 147.58 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 111.185 -175.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.06 -15.39 58.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.88 154.61 47.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.72 161.73 42.56 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.24 162.62 12.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 111.194 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.82 113.04 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.54 108.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 34' ' ' LEU . . . . . 0.449 HD13 HD23 ' Z' ' 34' ' ' LEU . 39.4 tp -129.48 133.73 47.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.768 0.318 . . . . 0.0 111.186 173.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.18 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 172.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.65 -61.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.26 -165.84 25.36 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.43 16.04 65.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.25 153.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 111.188 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.201 -1.452 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.329 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.43 126.34 22.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.257 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.93 131.18 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.195 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -105.57 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.207 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.27 111.05 19.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -111.96 124.82 53.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.242 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.62 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.32 136.85 26.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.41 110.16 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.238 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -121.0 117.95 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -172.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.55 62.69 3.15 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 170.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.84 147.61 46.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 111.24 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.39 58.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.23 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.89 154.62 47.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.67 161.71 42.62 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.6 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.233 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.7 113.03 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.246 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.54 108.92 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.22 136.05 8.16 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.56 133.69 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.204 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.15 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 172.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.65 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.29 -165.82 25.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.3 16.17 65.08 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.28 153.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.201 -1.465 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 179.069 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.804 0.335 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.42 126.36 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.95 131.23 54.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.56 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 175.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.28 111.02 19.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -112.01 124.84 53.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 175.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.62 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 173.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.38 136.98 26.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.6 110.17 19.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 82.7 t -121.01 117.97 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -172.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.39 62.73 3.16 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.84 147.59 46.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 111.214 -175.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.39 58.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.61 47.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.66 161.69 42.64 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.58 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.73 113.01 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.245 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.55 108.99 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -173.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 136.05 8.16 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.52 133.74 47.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.741 0.305 . . . . 0.0 111.252 173.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.19 9.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.6 -61.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.195 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.8 25.38 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.27 16.16 65.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.32 153.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.202 -1.442 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.182 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.332 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.52 126.41 22.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.97 131.2 54.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -105.57 106.78 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.265 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.24 111.02 19.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -170.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.95 124.88 53.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.6 17.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.43 136.89 26.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.45 110.25 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.2 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 80.7 t -121.01 117.94 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.29 -172.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.74 3.14 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.64 46.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.04 -15.36 58.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.201 175.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.9 154.69 47.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.222 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.75 161.76 42.52 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.33 162.59 12.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.246 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.06 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.57 108.89 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.16 136.01 8.14 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 34' ' ' LEU . . . . . 0.449 HD23 HD13 ' W' ' 34' ' ' LEU . 39.3 tp -129.53 133.68 47.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 173.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.09 176.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.204 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -108.68 -61.19 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.78 25.39 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.25 16.18 65.17 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.27 153.45 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.37 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.272 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.02 131.29 54.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.63 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.22 111.01 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -170.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -111.96 124.79 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.67 125.63 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.247 173.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.4 136.89 26.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.48 110.22 19.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 81.3 t -120.98 117.96 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.222 -172.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.76 3.14 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 170.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.87 147.6 46.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.07 -15.33 58.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.61 47.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.6 161.7 42.75 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.22 162.6 12.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.265 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 82.2 mt -100.75 113.05 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.55 108.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.205 -173.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 136.0 8.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -129.52 133.75 47.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 111.156 173.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.14 176.2 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 172.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 89.6 t -108.66 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.21 -165.79 25.36 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.1 65.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.23 153.41 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 0.0 111.16 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.104 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.851 0.358 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.59 111.45 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.558 HD23 ' C ' ' A' ' 17' ' ' LEU . 6.5 tt -110.29 104.46 13.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.53 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.54 117.05 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.68 115.02 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' O ' ' HA ' ' Y' ' 21' ' ' ALA . . . -142.85 130.35 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.8 143.56 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.47 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -128.14 126.41 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.13 2.81 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.38 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 111.2 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.0 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.226 166.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.85 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.39 38.67 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.79 14.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.213 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.61 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 172.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.81 119.58 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -174.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.53 3.84 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD23 HD13 ' Y' ' 34' ' ' LEU . 41.7 tp -131.33 119.87 22.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 111.256 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.57 36.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.37 127.13 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.61 125.34 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.336 . . . . 0.0 111.169 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.199 -1.563 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 177.357 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.767 0.318 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.63 111.5 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.563 ' C ' HD23 ' B' ' 17' ' ' LEU . 6.5 tt -110.36 104.44 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -116.48 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.52 117.05 33.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.63 114.97 22.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.255 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' E' ' 21' ' ' ALA . . . -142.84 130.34 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.228 175.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.76 143.51 29.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.24 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.86 112.52 14.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.207 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.3 t -128.17 126.41 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.37 62.09 2.82 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.11 -177.32 5.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.19 -51.04 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 166.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.83 158.81 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 174.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.89 -164.35 38.66 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 172.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.71 162.84 14.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.206 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.16 114.51 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.79 119.68 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -174.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 117.56 3.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.7 tp -131.4 119.87 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.203 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.21 124.64 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.45 127.09 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.5 0.49 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.62 125.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 111.195 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 177.371 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.59 111.49 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.558 HD23 ' C ' ' C' ' 17' ' ' LEU . 6.5 tt -110.35 104.44 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -116.5 101.62 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.48 117.09 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.7 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' F' ' 21' ' ' ALA . . . -142.87 130.31 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 175.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.74 143.55 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.85 112.52 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.24 126.45 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.4 62.09 2.81 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.37 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 111.152 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.06 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 166.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.8 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.37 38.65 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.66 162.78 14.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 111.199 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.17 114.55 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 172.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.79 119.59 58.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 172.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.459 HD13 HD23 ' F' ' 34' ' ' LEU . 41.5 tp -131.38 119.89 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.225 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.55 36.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.33 127.04 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.235 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.26 150.42 6.12 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.47 0.5 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.4 t -128.58 125.37 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.208 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 177.319 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.818 0.342 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.57 111.45 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.562 HD23 ' C ' ' D' ' 17' ' ' LEU . 6.5 tt -110.35 104.49 13.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.51 101.72 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.6 117.03 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.59 114.99 22.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' G' ' 21' ' ' ALA . . . -142.87 130.35 21.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.78 143.56 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.94 112.5 14.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.2 126.5 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -172.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.22 62.19 2.82 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.15 -177.38 5.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.07 -51.08 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.212 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.78 158.86 15.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.03 -164.37 38.54 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 172.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.8 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.13 114.55 46.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 172.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.78 119.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 117.6 3.86 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 172.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.463 HD13 HD23 ' G' ' 34' ' ' LEU . 41.5 tp -131.34 119.83 22.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.308 . . . . 0.0 111.222 -176.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.0 ttm -128.23 124.62 37.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.06 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.5 0.49 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.6 125.31 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.24 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 177.377 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.838 0.351 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.61 111.45 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.564 HD23 ' C ' ' E' ' 17' ' ' LEU . 6.5 tt -110.34 104.47 13.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.5 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.203 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.67 114.98 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 21' ' ' ALA . . . -142.84 130.39 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.57 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.9 112.5 14.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.16 126.48 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -172.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.08 -177.35 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.202 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.09 -51.09 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 166.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.81 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.31 38.62 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.7 162.81 14.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.188 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.53 45.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 172.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.74 119.65 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -173.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.61 3.86 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.401 HD13 HD23 ' H' ' 34' ' ' LEU . 41.5 tp -131.39 119.86 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 -176.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.2 124.61 37.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.1 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.37 6.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.66 125.33 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 111.18 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.199 -1.587 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 177.349 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.63 111.43 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.557 HD23 ' C ' ' F' ' 17' ' ' LEU . 6.5 tt -110.31 104.42 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.221 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.44 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.54 117.11 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.7 114.96 22.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' C' ' 21' ' ' ALA . . . -142.84 130.38 21.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.81 143.59 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.96 112.5 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' I' ' 24' ' ' VAL . 97.8 t -128.17 126.43 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -172.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.13 2.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.39 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.203 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.06 -51.07 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 166.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.84 15.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.36 38.63 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 172.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.71 162.84 14.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.228 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.21 114.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.75 119.62 58.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -174.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 172.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.463 HD13 HD23 ' I' ' 34' ' ' LEU . 41.7 tp -131.36 119.83 22.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.211 -176.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.66 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.217 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.35 127.05 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.252 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.18 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.72 51.52 0.49 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 97.0 t -128.65 125.27 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.228 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 177.327 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.807 0.336 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.55 111.42 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.226 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.564 ' C ' HD23 ' G' ' 17' ' ' LEU . 6.5 tt -110.3 104.43 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 66.3 t -116.46 101.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.225 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.48 117.06 33.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.69 115.02 22.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' D' ' 21' ' ' ALA . . . -142.84 130.34 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.78 143.53 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.85 112.51 14.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.23 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 -172.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.08 2.83 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.07 -177.3 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 0.0 111.219 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.11 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 166.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.73 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.36 38.6 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.63 162.81 14.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.54 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.212 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.75 119.6 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.3 117.61 3.86 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 172.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' D' ' 34' ' ' LEU . 41.6 tp -131.33 119.88 22.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.775 0.322 . . . . 0.0 111.218 -176.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.61 37.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.41 127.1 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.23 150.39 6.11 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.62 51.47 0.5 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -128.59 125.33 63.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 111.166 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.199 -1.574 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 177.311 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.49 4.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.562 HD23 ' C ' ' H' ' 17' ' ' LEU . 6.5 tt -110.34 104.45 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.46 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.55 117.0 32.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.63 115.04 22.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' K' ' 21' ' ' ALA . . . -142.89 130.41 21.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 175.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.86 143.55 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.88 112.47 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.205 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 97.8 t -128.14 126.45 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.228 -172.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.27 62.19 2.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.16 -177.38 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.11 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 166.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.222 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.96 -164.34 38.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.82 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 111.235 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.18 114.57 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.22 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.72 119.58 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -173.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.59 3.86 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.403 HD13 HD23 ' K' ' 34' ' ' LEU . 41.7 tp -131.37 119.9 22.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 111.216 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.26 124.61 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.4 127.07 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.24 150.34 6.1 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.6 125.32 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.813 0.339 . . . . 0.0 111.258 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 177.382 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.79 0.328 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.61 111.45 4.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.561 HD23 ' C ' ' I' ' 17' ' ' LEU . 6.5 tt -110.32 104.44 13.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.5 101.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.57 117.01 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.65 114.98 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.168 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' F' ' 21' ' ' ALA . . . -142.81 130.34 21.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.57 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.9 112.53 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' F' ' 24' ' ' VAL . 97.8 t -128.23 126.46 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.29 62.16 2.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.16 -177.36 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.15 -50.99 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 166.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.84 15.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.36 38.62 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.325 . . . . 0.0 111.224 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.58 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.75 119.6 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.247 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.6 3.86 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' F' ' 34' ' ' LEU . 41.7 tp -131.36 119.89 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.229 -176.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.64 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -132.45 127.09 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.38 6.11 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.59 51.53 0.5 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -128.64 125.39 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 177.373 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.5 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.556 HD23 ' C ' ' J' ' 17' ' ' LEU . 6.5 tt -110.3 104.39 13.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.48 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.5 117.06 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -120.68 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' M' ' 21' ' ' ALA . . . -142.86 130.39 21.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 175.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -145.86 143.57 29.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.92 112.51 14.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 96.8 t -128.2 126.48 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 -172.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.28 62.14 2.82 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.4 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.181 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.03 -51.1 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 166.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.75 158.82 15.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.98 -164.33 38.57 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.78 14.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 111.204 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.18 114.54 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.209 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.73 119.57 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.209 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.22 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.46 HD23 HD13 ' G' ' 34' ' ' LEU . 41.5 tp -131.36 119.9 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.212 -176.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.63 37.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.41 127.05 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.25 150.34 6.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.53 0.49 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.6 125.35 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 111.205 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.229 177.328 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.821 0.343 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.64 111.47 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.564 HD23 ' C ' ' K' ' 17' ' ' LEU . 6.5 tt -110.35 104.5 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.53 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.56 117.06 33.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -120.68 115.06 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' H' ' 21' ' ' ALA . . . -142.92 130.37 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.54 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.92 112.54 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.191 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -128.24 126.44 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.32 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.198 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.08 -51.11 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 166.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.222 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.95 -164.37 38.62 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 172.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.8 14.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 111.184 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.2 114.54 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.72 119.59 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 172.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.403 HD23 HD13 ' H' ' 34' ' ' LEU . 41.5 tp -131.39 119.91 22.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.352 . . . . 0.0 111.209 -176.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.6 37.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.224 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.4 127.04 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.24 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.41 0.49 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 96.8 t -128.55 125.33 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 111.243 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 177.361 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.35 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.48 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.215 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.564 ' C ' HD23 ' L' ' 17' ' ' LEU . 6.5 tt -110.31 104.46 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.5 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.54 117.04 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.68 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 21' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' I' ' 21' ' ' ALA . . . -142.87 130.38 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.86 143.54 29.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.48 14.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' I' ' 24' ' ' VAL . 95.7 t -128.17 126.4 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.219 -172.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.3 62.18 2.81 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.35 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 111.207 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.07 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 166.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.74 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.95 -164.39 38.62 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 172.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.86 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 111.195 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -117.23 114.55 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.71 119.57 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.53 3.84 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' I' ' 34' ' ' LEU . 41.6 tp -131.3 119.9 22.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.216 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.62 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.4 127.07 56.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.68 51.48 0.49 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.6 125.3 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 177.372 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.54 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.544 HD23 ' C ' ' M' ' 17' ' ' LEU . 6.5 tt -110.35 104.39 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.46 101.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.47 117.0 32.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.249 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.61 114.99 22.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 21' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -142.86 130.36 21.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 175.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.53 29.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.86 112.5 14.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.16 126.42 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -172.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.15 2.81 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.13 -177.41 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 111.249 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.05 -51.08 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.8 158.88 15.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.177 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.01 -164.29 38.52 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 172.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.74 162.81 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 111.2 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.19 114.52 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 172.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.76 119.65 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.463 HD13 HD23 ' P' ' 34' ' ' LEU . 41.6 tp -131.4 119.85 22.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -176.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.22 124.66 37.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.44 127.06 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.32 6.08 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.73 51.46 0.49 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.59 125.33 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.19 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 177.322 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.832 0.348 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.66 111.47 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.556 HD23 ' C ' ' N' ' 17' ' ' LEU . 6.5 tt -110.32 104.45 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.23 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.45 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.53 116.99 32.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.246 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -120.6 115.03 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' K' ' 21' ' ' ALA . . . -142.9 130.35 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 175.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.51 29.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.89 112.5 14.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.16 126.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.29 62.1 2.83 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.36 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 111.201 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.14 -51.12 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.73 158.87 15.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.0 -164.41 38.59 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.61 162.82 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 111.223 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.19 114.53 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.76 119.64 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.6 3.85 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 172.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.403 HD23 HD13 ' K' ' 34' ' ' LEU . 41.6 tp -131.39 119.9 22.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.195 -176.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.3 124.64 37.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.37 127.11 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.217 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.17 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.57 125.32 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 177.293 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.774 0.321 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.47 4.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.557 HD23 ' C ' ' O' ' 17' ' ' LEU . 6.5 tt -110.33 104.48 13.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.5 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.51 117.05 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.63 115.0 22.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 21' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' L' ' 21' ' ' ALA . . . -142.87 130.36 21.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.79 143.49 29.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.83 112.55 14.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 97.8 t -128.21 126.44 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 -172.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.28 62.17 2.81 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -144.15 -177.32 5.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.153 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.12 -51.09 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 166.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.73 158.86 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 174.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.38 38.6 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.82 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 111.204 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.74 119.58 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -174.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.24 117.54 3.84 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.462 HD23 HD13 ' L' ' 34' ' ' LEU . 41.5 tp -131.37 119.89 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.34 . . . . 0.0 111.201 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.22 124.64 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.37 127.08 56.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.235 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.54 0.49 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.62 125.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 111.196 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 177.335 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.806 0.336 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.53 111.49 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.553 HD23 ' C ' ' P' ' 17' ' ' LEU . 6.5 tt -110.31 104.41 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.43 101.69 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 176.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.56 117.07 33.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.65 115.0 22.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 21' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' S' ' 21' ' ' ALA . . . -142.85 130.41 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.57 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.237 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.89 112.51 14.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 95.6 t -128.19 126.47 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.19 2.8 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.19 -177.39 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.173 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.09 -51.03 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 166.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.02 -164.34 38.54 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.78 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.17 114.55 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 172.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.77 119.57 58.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.262 -174.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.23 117.61 3.87 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.464 HD13 HD23 ' S' ' 34' ' ' LEU . 41.4 tp -131.37 119.88 22.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 111.197 -176.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.23 124.61 37.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.34 127.11 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.18 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.62 51.5 0.49 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.6 125.36 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.201 -1.498 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 177.339 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.65 111.51 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . 0.544 ' C ' HD23 ' Q' ' 17' ' ' LEU . 6.5 tt -110.31 104.47 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -116.5 101.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.47 117.05 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.66 115.02 22.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' N' ' 21' ' ' ALA . . . -142.87 130.38 21.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.214 175.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.55 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.88 112.51 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.19 126.47 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.25 62.12 2.83 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.08 -177.4 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.324 . . . . 0.0 111.23 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.04 -51.09 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 166.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.76 158.83 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.33 38.58 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.82 14.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 111.235 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.21 114.52 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.72 119.6 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -173.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . 0.401 HD23 HD13 ' N' ' 34' ' ' LEU . 41.5 tp -131.41 119.89 22.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.207 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.28 124.64 37.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.38 127.06 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.73 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -174.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.63 125.35 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.195 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.232 177.356 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.787 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.57 111.47 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 17' ' ' LEU . . . . . 0.546 HD23 ' C ' ' R' ' 17' ' ' LEU . 6.5 tt -110.36 104.49 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.51 101.64 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.52 117.09 33.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.67 114.99 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 21' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -142.86 130.41 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 175.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.81 143.59 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.92 112.48 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.218 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.16 126.43 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -172.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.3 62.11 2.82 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.08 -177.33 5.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.181 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.17 -51.0 3.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.213 166.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.82 158.77 15.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.38 38.65 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 172.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.63 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.798 0.333 . . . . 0.0 111.178 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.18 114.52 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 172.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.7 119.62 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 172.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.458 HD23 HD13 ' O' ' 34' ' ' LEU . 41.6 tp -131.35 119.82 22.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.232 -176.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.63 37.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.224 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.42 127.08 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.31 6.08 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.5 0.49 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.57 125.33 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 111.199 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 177.331 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.64 111.48 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 0.56 HD23 ' C ' ' S' ' 17' ' ' LEU . 6.5 tt -110.37 104.47 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -116.52 101.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.48 117.03 32.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.64 115.01 22.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.217 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 21' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' P' ' 21' ' ' ALA . . . -142.89 130.38 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 175.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.56 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.236 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.55 14.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.18 126.43 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -172.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.35 62.11 2.81 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.37 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.309 . . . . 0.0 111.219 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -104.13 -51.08 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 166.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.72 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.33 38.6 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.81 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.17 114.56 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 172.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.76 119.58 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -173.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.465 HD13 HD23 ' V' ' 34' ' ' LEU . 41.6 tp -131.35 119.83 22.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 0.0 111.214 -176.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.23 124.69 37.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.45 127.1 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.23 150.36 6.1 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.45 0.49 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -174.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -128.54 125.3 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.264 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 177.37 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.327 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.62 111.45 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 17' ' ' LEU . . . . . 0.545 HD23 ' C ' ' T' ' 17' ' ' LEU . 6.5 tt -110.34 104.46 13.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.47 101.61 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.48 117.08 33.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.208 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -120.67 114.95 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' Q' ' 21' ' ' ALA . . . -142.86 130.34 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -145.79 143.53 29.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.87 112.54 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.19 126.45 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.34 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.1 -177.36 5.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.328 . . . . 0.0 111.19 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.14 -51.04 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 166.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.84 15.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.93 -164.36 38.63 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.81 14.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 111.211 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 172.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.77 119.6 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.27 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 41.7 tp -131.35 119.85 22.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 111.236 -176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.17 124.62 37.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.4 127.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.193 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.58 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.66 125.29 63.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 177.341 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.57 111.48 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.246 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 17' ' ' LEU . . . . . 0.555 HD23 ' C ' ' U' ' 17' ' ' LEU . 6.5 tt -110.28 104.45 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.54 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.66 115.01 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 21' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' R' ' 21' ' ' ALA . . . -142.85 130.37 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 175.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.82 143.52 29.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.9 112.52 14.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 97.4 t -128.16 126.44 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.09 2.82 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.1 -177.37 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.205 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.05 -51.06 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 166.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.81 158.8 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.31 38.61 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 172.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.7 162.81 14.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.18 114.5 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.268 172.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.71 119.62 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.3 117.55 3.84 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 34' ' ' LEU . . . . . 0.453 HD23 HD13 ' R' ' 34' ' ' LEU . 41.7 tp -131.36 119.88 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 111.221 -176.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.58 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.38 127.11 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.3 6.08 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.6 125.34 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 111.199 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 177.355 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.333 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.61 111.43 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 17' ' ' LEU . . . . . 0.563 ' C ' HD23 ' V' ' 17' ' ' LEU . 6.5 tt -110.3 104.45 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.47 101.7 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.65 115.0 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 21' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' S' ' 21' ' ' ALA . . . -142.87 130.34 21.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 175.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.55 29.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.48 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.235 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.15 126.47 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -172.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.22 62.18 2.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.11 -177.37 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.212 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.03 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 166.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.86 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.98 -164.38 38.6 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.84 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.182 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.19 114.52 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.74 119.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 34' ' ' LEU . . . . . 0.465 HD23 HD13 ' S' ' 34' ' ' LEU . 41.7 tp -131.31 119.88 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 111.235 -176.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.66 37.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.12 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.16 150.3 6.08 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.69 51.51 0.49 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.61 125.31 63.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 111.208 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 177.36 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.67 111.53 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 17' ' ' LEU . . . . . 0.549 HD23 ' C ' ' W' ' 17' ' ' LEU . 6.5 tt -110.42 104.45 13.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.42 101.64 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.207 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.5 117.05 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.65 114.99 22.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 21' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' T' ' 21' ' ' ALA . . . -142.88 130.38 21.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.56 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.87 112.44 14.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.15 126.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.11 2.82 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.41 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 111.21 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.06 -51.11 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 166.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.79 15.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 174.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.37 38.65 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 172.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.76 14.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.322 . . . . 0.0 111.209 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.12 114.54 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.73 119.61 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 -174.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.56 3.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 tp -131.34 119.84 22.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.765 0.317 . . . . 0.0 111.212 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.61 37.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.45 127.1 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.7 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.6 125.31 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.182 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 177.307 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.792 0.33 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.55 111.47 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.558 HD23 ' C ' ' X' ' 17' ' ' LEU . 6.5 tt -110.32 104.48 13.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.217 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.49 101.59 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.48 117.03 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.222 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.63 114.99 22.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 21' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' ALA . . . -142.85 130.41 21.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 175.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.87 143.53 29.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.9 112.53 14.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.23 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -172.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.18 2.8 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.15 -177.33 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.347 . . . . 0.0 111.185 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.16 -51.02 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.233 166.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.81 15.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.96 -164.37 38.61 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.82 14.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 111.181 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.2 114.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.74 119.56 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.24 117.55 3.85 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 172.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 34' ' ' LEU . . . . . 0.449 HD13 HD23 ' A' ' 34' ' ' LEU . 41.5 tp -131.34 119.94 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.202 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.31 124.6 36.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 99.5 t -132.34 127.09 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.49 0.49 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.62 125.33 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 111.198 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 177.352 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.6 111.51 4.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 17' ' ' LEU . . . . . 0.56 HD23 ' C ' ' Y' ' 17' ' ' LEU . 6.5 tt -110.34 104.49 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.51 101.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.51 117.07 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.71 114.96 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 21' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' V' ' 21' ' ' ALA . . . -142.82 130.4 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.54 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.5 14.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 173.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.2 126.44 66.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 -172.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.15 2.81 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.34 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.183 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.12 -51.11 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 166.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.76 158.84 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 174.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.02 -164.33 38.54 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.82 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 111.174 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 172.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.75 119.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -174.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.58 3.85 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' V' ' 34' ' ' LEU . 41.8 tp -131.38 119.82 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 111.222 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.64 37.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.41 127.08 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.25 150.34 6.1 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.46 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.61 125.33 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.184 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 177.369 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.819 0.343 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.49 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 17' ' ' LEU . . . . . 0.559 HD23 ' C ' ' Z' ' 17' ' ' LEU . 6.5 tt -110.37 104.43 13.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.43 101.62 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.47 117.08 33.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.66 114.98 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 21' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' W' ' 21' ' ' ALA . . . -142.89 130.39 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 175.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.82 143.59 29.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.93 112.5 14.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 97.1 t -128.17 126.48 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.23 62.14 2.83 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.37 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.222 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.07 -51.1 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 166.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.74 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.194 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.37 38.63 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.77 14.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.195 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.12 114.6 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.8 119.64 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.62 3.86 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 41.4 tp -131.41 119.89 22.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 111.217 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.66 37.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 98.7 t -132.42 127.07 56.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.213 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.26 150.39 6.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.68 51.45 0.49 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.6 125.34 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 111.182 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 177.332 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.46 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.214 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -110.28 104.48 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.49 101.66 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.54 117.07 33.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.64 115.0 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.86 130.36 21.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.51 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.5 14.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.244 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.19 126.43 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.192 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.14 2.81 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.34 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.175 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.08 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 166.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.8 15.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.87 -164.36 38.69 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 172.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.72 162.82 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.19 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.56 46.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 172.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.76 119.62 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.59 3.85 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 172.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.4 119.88 22.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 111.154 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.63 37.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.4 127.05 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.53 125.33 63.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.317 . . . . 0.0 111.213 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 177.321 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.524 -0.052 0 CA-C-O 120.845 0.355 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.59 139.09 57.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.549 ' HB2' HD22 ' Y' ' 17' ' ' LEU . 60.0 mt -116.51 136.39 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -112.69 115.57 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.71 112.07 20.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.58 110.99 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.67 108.35 18.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.242 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.34 113.45 25.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -174.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.9 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.28 122.52 68.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.41 -22.31 38.06 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.691 ' O ' ' HA ' ' X' ' 26' ' ' SER . 30.7 t -56.65 144.93 30.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.338 . . . . 0.0 111.205 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.52 ' HA ' ' HA ' ' Y' ' 26' ' ' SER . 85.6 m-20 -102.08 -2.25 29.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 174.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.277 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' Y' ' 29' ' ' GLY . . . -92.55 -161.35 36.42 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -172.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.44 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.166 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.1 119.89 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.26 130.74 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' Y' ' 33' ' ' GLY . . . -143.01 123.37 2.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD12 HD22 ' X' ' 34' ' ' LEU . 59.4 mt -120.22 141.07 50.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 111.196 -175.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.48 11.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 175.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.88 111.63 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.17 -4.51 48.62 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.65 -128.68 10.48 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.39 -51.92 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.214 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.199 -1.566 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 -175.57 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.809 0.338 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.43 138.95 57.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.261 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.44 136.37 53.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.188 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.68 115.5 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.71 112.05 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.244 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.46 110.98 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.25 18.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.187 175.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.21 113.54 25.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -174.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.98 96.19 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.16 122.53 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.32 37.97 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' E' ' 26' ' ' SER . 30.7 t -56.68 145.02 30.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.186 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.15 -2.18 29.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.42 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 -176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.57 -161.31 36.38 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -172.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.12 149.49 28.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 111.113 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.07 119.86 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 176.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.21 130.8 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.34 2.09 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 175.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.23 141.08 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.183 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.27 106.59 11.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.1 t -105.93 111.64 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.54 48.88 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.65 10.39 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.45 -51.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.199 -1.586 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.207 -175.606 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.11 57.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' F' ' 17' ' ' LEU . 59.7 mt -116.53 136.32 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.68 115.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.77 112.07 20.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.224 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 111.03 13.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.66 108.35 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.31 113.54 25.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.01 96.34 5.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.28 122.46 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.52 -22.38 37.65 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.69 ' HA ' ' O ' ' F' ' 26' ' ' SER . 30.6 t -56.67 145.02 30.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.237 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.15 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 174.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.67 176.4 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.59 -161.33 36.38 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -172.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.43 28.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 111.226 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.03 119.9 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.175 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.28 130.69 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.95 123.46 2.13 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.619 HD22 HD12 ' F' ' 34' ' ' LEU . 59.2 mt -120.28 141.11 50.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.49 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -105.86 111.63 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.48 48.72 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 -128.63 10.51 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.45 -51.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.21 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -175.55 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.57 139.08 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' G' ' 17' ' ' LEU . 59.5 mt -116.46 136.39 53.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.28 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -112.62 115.51 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.74 112.03 20.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.55 111.06 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.72 108.28 18.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.28 113.49 25.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.36 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 95.6 t -120.3 122.48 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.52 -22.4 37.62 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' G' ' 26' ' ' SER . 30.6 t -56.62 145.01 29.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.22 29.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.241 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.464 ' O ' ' HA3' ' G' ' 29' ' ' GLY . . . -92.63 -161.34 36.36 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -172.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.49 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.208 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.08 119.89 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.29 130.74 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.545 ' O ' ' HA2' ' G' ' 33' ' ' GLY . . . -143.02 123.45 2.12 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.24 141.07 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 0.0 111.224 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.34 106.53 11.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -105.92 111.61 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.16 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.47 48.63 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 -128.66 10.49 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.42 -51.97 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.199 -1.558 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 -175.604 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.729 0.299 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.45 139.1 57.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.51 136.35 53.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.247 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 88.9 t -112.68 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.78 112.04 20.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.51 111.0 13.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.262 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.32 18.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.28 113.51 25.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.95 96.26 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.27 122.5 68.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -175.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.32 37.97 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' B' ' 26' ' ' SER . 30.6 t -56.63 144.92 30.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 111.223 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.1 -2.19 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.62 176.43 5.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.62 -161.31 36.35 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -172.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.4 28.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.822 0.344 . . . . 0.0 111.214 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -123.06 119.84 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.3 130.7 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.19 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.4 2.12 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 58.5 mt -120.24 141.11 50.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 111.265 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.37 106.5 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t -105.85 111.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.238 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.5 48.8 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.59 -128.68 10.54 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.4 -51.93 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.36 . . . . 0.0 111.203 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -175.597 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.753 0.311 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.11 57.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.244 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' I' ' 17' ' ' LEU . 59.4 mt -116.45 136.37 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.188 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -112.65 115.48 49.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.63 112.08 20.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.254 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.01 13.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.29 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.18 113.53 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.267 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.93 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.37 122.51 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.53 -22.38 37.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.69 ' O ' ' HA ' ' C' ' 26' ' ' SER . 30.6 t -56.6 144.96 29.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.11 -2.22 29.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.74 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.164 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.6 -161.32 36.36 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -172.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.09 149.41 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.204 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.08 119.88 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.24 130.72 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' I' ' 33' ' ' GLY . . . -142.98 123.48 2.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 175.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.619 HD12 HD22 ' C' ' 34' ' ' LEU . 58.9 mt -120.24 141.04 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 111.259 -175.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.5 11.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -105.91 111.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.187 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.22 -4.47 48.41 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.68 10.47 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.46 -51.9 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 0.0 111.265 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -175.629 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.807 0.337 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.54 139.19 57.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.535 ' HB2' HD22 ' D' ' 17' ' ' LEU . 60.1 mt -116.56 136.34 53.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -112.64 115.53 50.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -116.66 112.07 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.176 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.58 111.09 13.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.21 18.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.12 113.49 25.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 -174.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.0 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.29 122.5 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.3 38.05 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 26' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' J' ' 26' ' ' SER . 30.6 t -56.69 145.03 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 111.254 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' D' ' 26' ' ' SER . 85.6 m-20 -102.17 -2.2 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 174.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.68 176.43 5.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.467 ' O ' ' HA3' ' J' ' 29' ' ' GLY . . . -92.57 -161.3 36.37 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -172.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.41 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.12 119.91 59.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.22 130.72 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' D' ' 33' ' ' GLY . . . -142.94 123.36 2.1 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.17 141.14 50.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.764 0.316 . . . . 0.0 111.238 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.44 11.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.92 111.73 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.54 48.77 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.69 -128.65 10.43 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.44 -51.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.357 . . . . 0.0 111.172 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.773 0.321 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.09 57.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -116.5 136.3 53.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.161 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.67 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.68 112.12 20.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 110.97 13.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.26 18.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.228 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.14 113.47 25.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.236 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.99 96.38 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.34 122.49 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 -22.27 38.17 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 26' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' K' ' 26' ' ' SER . 30.7 t -56.72 145.01 30.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 111.174 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.16 -2.18 29.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.37 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.53 -161.28 36.38 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -172.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.42 28.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.192 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.05 119.84 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.22 130.81 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.0 123.3 2.09 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.17 141.11 50.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.328 . . . . 0.0 111.221 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.44 11.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.28 175.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.81 111.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.05 -4.5 49.07 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.74 10.47 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.38 -51.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.743 0.306 . . . . 0.0 111.199 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -175.522 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.784 0.326 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.54 139.12 57.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.544 HD22 ' HB2' ' L' ' 17' ' ' LEU . 59.4 mt -116.51 136.34 53.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.66 115.48 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.218 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.62 112.06 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.269 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.49 111.01 13.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.21 18.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.48 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -174.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.87 96.34 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.41 122.53 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.4 -22.29 38.13 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 26' ' ' SER . . . . . 0.691 ' HA ' ' O ' ' L' ' 26' ' ' SER . 30.7 t -56.7 145.02 30.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 111.225 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.15 29.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.204 174.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.63 176.37 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.54 -161.37 36.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -172.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.44 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 111.231 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.14 119.78 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.18 130.78 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -176.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.401 ' O ' ' HA2' ' L' ' 33' ' ' GLY . . . -142.98 123.37 2.1 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.617 HD22 HD12 ' L' ' 34' ' ' LEU . 59.0 mt -120.2 141.13 50.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 111.21 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.46 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.219 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.89 111.62 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.42 48.56 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.52 -128.65 10.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.39 -52.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 -175.579 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.53 139.08 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' M' ' 17' ' ' LEU . 59.5 mt -116.54 136.37 53.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.71 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.75 112.15 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.149 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.54 111.02 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 174.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.33 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.21 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.54 25.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.99 96.26 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.3 122.55 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -175.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 -22.36 37.86 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.562 ' HA ' ' O ' ' M' ' 26' ' ' SER . 30.8 t -56.74 144.96 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 111.223 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.499 ' HA ' ' HA ' ' G' ' 26' ' ' SER . 85.5 m-20 -102.09 -2.1 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 174.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.69 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.468 ' O ' ' HA3' ' M' ' 29' ' ' GLY . . . -92.63 -161.37 36.38 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -172.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.42 28.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 111.205 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.05 119.88 58.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 176.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.22 130.71 71.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.544 ' HA2' ' O ' ' G' ' 33' ' ' GLY . . . -142.98 123.38 2.1 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.23 141.12 50.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 111.17 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.38 106.51 11.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.92 111.58 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.42 48.73 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 -128.67 10.54 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.36 -51.97 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 111.196 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.787 0.327 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.52 139.09 57.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.201 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.51 136.38 53.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 91.0 t -112.71 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.219 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.7 112.01 20.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.47 110.99 13.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.27 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.217 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.54 25.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.99 96.33 5.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.35 122.52 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.227 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.44 -22.31 38.01 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 26' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' H' ' 26' ' ' SER . 30.6 t -56.67 145.05 30.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.347 . . . . 0.0 111.192 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.24 -2.08 29.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 174.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.43 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.37 36.42 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.04 149.47 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.186 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.14 119.89 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.26 130.77 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.93 123.29 2.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.21 141.12 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 -175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.49 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -105.87 111.6 35.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.255 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.43 48.73 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.64 -128.57 10.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.54 -51.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.199 -1.564 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -175.608 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.05 57.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' O' ' 17' ' ' LEU . 59.4 mt -116.5 136.39 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -112.64 115.48 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -116.62 112.05 20.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.57 111.1 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.173 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.23 18.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.48 25.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.97 96.3 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 96.0 t -120.24 122.42 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.237 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -22.31 37.96 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 26' ' ' SER . . . . . 0.692 ' HA ' ' O ' ' O' ' 26' ' ' SER . 30.7 t -56.66 144.94 30.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 111.176 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.07 -2.23 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.67 176.4 5.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.36 36.42 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.05 149.48 28.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 111.198 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.13 119.84 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.16 130.78 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 33' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -143.01 123.38 2.1 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.624 HD22 HD12 ' O' ' 34' ' ' LEU . 59.1 mt -120.2 141.06 50.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 111.264 -175.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.22 106.38 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.239 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.82 111.69 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.284 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.06 -4.45 48.97 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.68 10.41 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.41 -51.9 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.195 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--O 1.199 -1.56 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 -175.532 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.66 139.11 57.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' P' ' 17' ' ' LEU . 59.4 mt -116.45 136.38 53.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -112.67 115.51 50.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.247 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.7 112.08 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.5 111.03 13.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.22 18.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.95 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.27 122.45 68.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 -22.26 38.21 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 26' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' P' ' 26' ' ' SER . 30.7 t -56.75 145.05 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 27' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' J' ' 26' ' ' SER . 85.5 m-20 -102.21 -2.17 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 174.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 29' ' ' GLY . . . . . 0.469 ' O ' ' HA3' ' P' ' 29' ' ' GLY . . . -92.69 -161.3 36.3 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -172.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.43 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -123.13 119.91 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.22 130.71 71.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.253 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 33' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -142.97 123.36 2.1 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.18 141.08 50.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.42 11.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.245 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 87.9 t -105.9 111.61 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -176.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.2 -4.52 48.52 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.59 -128.65 10.52 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.41 -51.95 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -175.524 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.78 0.324 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.54 139.05 57.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 -175.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.48 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 89.7 t -112.71 115.45 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.69 112.09 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.48 110.95 13.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.276 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.33 18.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.25 113.49 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 -174.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.97 96.36 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.31 122.47 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.54 -22.43 37.46 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 26' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' K' ' 26' ' ' SER . 30.8 t -56.64 144.97 30.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 111.228 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.11 -2.21 29.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.6 -161.29 36.35 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -172.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.09 149.46 28.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 111.192 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.17 119.83 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.15 130.84 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.07 123.34 2.09 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.19 141.12 50.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.0 111.167 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.43 11.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -105.91 111.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.01 -4.36 49.08 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.55 -128.65 10.55 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.38 -52.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.22 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.249 -175.639 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.48 139.09 57.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' R' ' 17' ' ' LEU . 59.5 mt -116.46 136.34 53.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 88.3 t -112.67 115.47 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.229 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.65 112.09 20.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.59 111.06 13.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 174.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.31 18.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.54 25.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.31 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.2 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.35 122.47 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.46 -22.28 38.09 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 26' ' ' SER . . . . . 0.693 ' HA ' ' O ' ' R' ' 26' ' ' SER . 30.6 t -56.64 145.0 29.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 111.174 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.18 -2.18 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.57 -161.33 36.39 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -172.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.5 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 111.205 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -123.18 119.79 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.14 130.75 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.208 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 33' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' L' ' 33' ' ' GLY . . . -143.02 123.4 2.11 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 175.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.626 HD22 HD12 ' R' ' 34' ' ' LEU . 59.1 mt -120.16 141.14 50.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.243 -175.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.35 106.44 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.194 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -105.91 111.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.5 48.97 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.78 10.5 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.4 -51.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.225 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.819 0.343 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.47 139.12 57.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.255 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.541 ' HB2' HD22 ' M' ' 17' ' ' LEU . 59.5 mt -116.43 136.41 53.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.68 115.5 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.67 112.01 20.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.243 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 111.09 13.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.189 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.72 108.31 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.198 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.51 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.191 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.3 122.46 68.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.193 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 -22.46 37.34 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 26' ' ' SER . . . . . 0.566 ' O ' ' HA ' ' M' ' 26' ' ' SER . 30.6 t -56.54 145.04 29.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 111.191 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 0.495 ' HA ' ' HA ' ' M' ' 26' ' ' SER . 85.6 m-20 -102.23 -2.22 29.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 174.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.65 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 29' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' M' ' 29' ' ' GLY . . . -92.65 -161.31 36.33 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -172.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.43 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 111.29 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.11 119.93 59.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.29 130.78 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -176.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 33' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' M' ' 33' ' ' GLY . . . -142.96 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.22 141.11 50.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.26 106.51 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.97 111.71 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.51 48.73 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.64 -128.67 10.49 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.39 -51.94 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -175.591 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.48 139.07 57.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 mt -116.47 136.46 52.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -112.74 115.52 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.73 112.09 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.48 111.07 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 174.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.22 18.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.205 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.19 113.5 25.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 -174.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.99 96.36 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.228 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 94.4 t -120.33 122.48 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.194 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.37 37.72 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' T' ' 26' ' ' SER . 30.7 t -56.71 145.07 30.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 111.212 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.24 -2.13 29.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.63 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.61 -161.32 36.36 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.43 28.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.24 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.12 119.87 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 88.5 mt -127.21 130.79 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.97 123.35 2.1 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 59.1 mt -120.2 141.08 50.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.727 0.299 . . . . 0.0 111.274 -175.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.57 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 175.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -105.97 111.65 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 -176.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.52 48.71 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.68 10.44 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 97.6 t -121.44 -51.97 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.811 0.338 . . . . 0.0 111.14 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -175.623 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.772 0.32 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.43 139.04 57.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 17' ' ' LEU . . . . . 0.548 HD22 ' HB2' ' U' ' 17' ' ' LEU . 59.6 mt -116.45 136.39 53.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -112.74 115.51 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.66 112.07 20.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.201 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 110.99 13.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.39 18.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.51 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.173 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.98 96.18 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 95.9 t -120.2 122.53 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.47 -22.31 37.99 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 26' ' ' SER . . . . . 0.693 ' O ' ' HA ' ' O' ' 26' ' ' SER . 30.9 t -56.79 144.99 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.187 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.11 -2.11 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 174.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.75 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.35 36.4 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -172.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.07 149.41 28.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.223 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.11 119.88 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -127.23 130.66 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.273 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' O' ' 33' ' ' GLY . . . -142.9 123.32 2.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 175.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.631 HD22 HD12 ' U' ' 34' ' ' LEU . 58.9 mt -120.22 141.07 50.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.216 -175.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.55 11.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.91 111.62 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.42 48.76 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 -128.74 10.55 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.37 -51.99 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.154 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 -175.565 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.46 139.1 57.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.25 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' V' ' 17' ' ' LEU . 59.5 mt -116.57 136.36 53.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.191 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -112.73 115.54 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.67 112.14 20.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.206 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.6 111.0 13.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.33 18.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.111 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.29 113.55 25.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -174.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.43 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.39 122.46 68.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.43 37.52 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 26' ' ' SER . . . . . 0.57 ' HA ' ' O ' ' V' ' 26' ' ' SER . 30.7 t -56.68 145.03 30.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 111.16 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 27' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' P' ' 26' ' ' SER . 85.5 m-20 -102.12 -2.21 29.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.259 174.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.7 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 29' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' P' ' 29' ' ' GLY . . . -92.65 -161.36 36.36 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -172.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.96 149.5 28.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 111.236 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.19 119.82 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.202 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.18 130.78 71.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 33' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' P' ' 33' ' ' GLY . . . -142.96 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 175.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.2 141.08 50.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.738 0.304 . . . . 0.0 111.273 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.49 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 88.2 t -105.85 111.66 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.44 48.9 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.65 -128.62 10.44 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.51 -51.93 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.211 -175.579 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.779 0.323 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.55 139.03 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -116.42 136.38 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.242 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -112.63 115.57 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.73 112.09 20.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.02 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.24 18.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.15 113.45 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.29 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.92 96.37 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.35 122.4 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.46 -22.25 38.21 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 26' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' Q' ' 26' ' ' SER . 30.8 t -56.76 145.13 30.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 111.151 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.25 -2.16 29.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.206 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.66 176.36 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.49 -161.4 36.48 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -172.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.02 149.46 28.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.778 0.323 . . . . 0.0 111.222 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.13 119.87 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.2 130.74 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.98 123.45 2.12 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.29 141.12 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.197 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.28 106.48 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.256 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -105.92 111.64 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.17 -4.51 48.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.68 10.47 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.42 -51.95 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 111.144 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.257 -175.572 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.741 0.305 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.55 139.09 57.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 17' ' ' LEU . . . . . 0.548 ' HB2' HD22 ' R' ' 17' ' ' LEU . 59.7 mt -116.49 136.38 53.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.72 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.7 112.1 20.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.54 110.95 13.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.66 108.29 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.259 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.53 25.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.94 96.3 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.34 122.57 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 -22.39 37.74 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 26' ' ' SER . . . . . 0.693 ' O ' ' HA ' ' R' ' 26' ' ' SER . 30.6 t -56.63 145.07 29.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 111.236 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.19 -2.18 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 174.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.65 176.42 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -176.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.29 36.37 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -172.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.42 28.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.321 . . . . 0.0 111.18 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -123.12 119.81 58.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.18 130.74 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.95 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 34' ' ' LEU . . . . . 0.637 HD22 HD12 ' X' ' 34' ' ' LEU . 59.2 mt -120.19 141.12 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.236 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.47 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -105.85 111.61 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -176.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.44 48.63 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.57 -128.65 10.54 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.42 -52.01 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.178 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -175.555 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.837 0.351 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.45 139.07 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.158 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 17' ' ' LEU . . . . . 0.547 HD22 ' HB2' ' Y' ' 17' ' ' LEU . 59.5 mt -116.53 136.44 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.71 115.53 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.68 112.11 20.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.212 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.59 110.97 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.31 18.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.42 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.237 -174.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.92 96.25 4.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.245 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -120.38 122.46 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.55 -22.34 37.77 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 26' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' Y' ' 26' ' ' SER . 30.7 t -56.71 144.98 30.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 111.222 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' V' V ' 27' ' ' ASN . . . . . 0.51 ' HA ' ' HA ' ' S' ' 26' ' ' SER . 85.6 m-20 -102.09 -2.25 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 174.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.55 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.284 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 29' ' ' GLY . . . . . 0.468 ' O ' ' HA3' ' Y' ' 29' ' ' GLY . . . -92.61 -161.29 36.34 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.11 149.4 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 111.275 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.03 119.85 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.26 130.79 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.205 -176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 33' ' ' GLY . . . . . 0.542 ' O ' ' HA2' ' Y' ' 33' ' ' GLY . . . -143.03 123.33 2.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' V' V ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.17 141.18 50.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 -175.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.36 106.49 11.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -105.99 111.73 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.51 48.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.67 -128.6 10.41 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.49 -51.93 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 111.172 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 87.3 t . . . . . 0 C--O 1.199 -1.554 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 -175.593 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.54 139.11 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.48 136.37 53.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -112.71 115.57 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.69 112.04 20.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.24 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.5 111.15 14.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.8 108.27 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.22 113.54 25.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.98 96.34 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -120.34 122.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -175.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 -22.37 37.63 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 26' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' T' ' 26' ' ' SER . 30.7 t -56.66 145.04 29.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.157 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.22 -2.17 29.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 174.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.66 176.35 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 -176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.49 -161.22 36.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -172.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.17 149.4 28.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 111.234 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.07 119.85 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.21 130.74 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -176.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.99 123.39 2.11 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 59.0 mt -120.22 141.03 50.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 0.0 111.231 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.25 106.47 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.23 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.88 111.66 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.56 48.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.63 10.39 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.51 -52.01 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 111.121 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.211 -175.588 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.839 0.352 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.06 57.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.547 ' HB2' HD22 ' U' ' 17' ' ' LEU . 59.6 mt -116.49 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.7 115.53 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.74 112.06 20.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.07 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.3 18.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.26 4.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.226 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -120.28 122.56 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.28 38.1 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 26' ' ' SER . . . . . 0.691 ' O ' ' HA ' ' U' ' 26' ' ' SER . 30.8 t -56.7 145.05 30.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.21 -2.15 29.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 174.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.58 176.47 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.69 -161.29 36.3 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -172.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.47 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.178 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.09 119.94 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.32 130.66 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 34' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 34' ' ' LEU . 59.0 mt -120.17 141.11 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 111.245 -175.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.43 11.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -105.89 111.68 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.07 -4.46 48.95 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.61 -128.66 10.5 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.37 -52.03 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.349 . . . . 0.0 111.243 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.199 -1.571 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.207 -175.602 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.815 0.34 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.48 139.1 57.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 17' ' ' LEU . . . . . 0.549 HD22 ' HB2' ' A' ' 17' ' ' LEU . 59.8 mt -116.51 136.41 53.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.69 115.49 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.71 112.11 20.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 111.04 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.19 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.13 113.55 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -174.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.02 96.31 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.33 122.46 68.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.33 37.87 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 26' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' A' ' 26' ' ' SER . 30.8 t -56.63 145.02 29.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.0 111.202 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 27' ' ' ASN . . . . . 0.515 ' HA ' ' HA ' ' V' ' 26' ' ' SER . 85.6 m-20 -102.18 -2.16 29.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 174.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.7 176.45 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.18 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 29' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' V' ' 29' ' ' GLY . . . -92.57 -161.36 36.41 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -172.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.07 149.45 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 111.233 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.15 119.86 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.21 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.25 130.78 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 33' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' V' ' 33' ' ' GLY . . . -142.97 123.49 2.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 175.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 34' ' ' LEU . . . . . . . . . . . . . 59.5 mt -120.28 141.11 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.347 . . . . 0.0 111.204 -175.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.32 106.4 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 90.1 t -105.91 111.67 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -176.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.44 48.62 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.69 10.48 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.47 -51.94 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 111.166 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -175.633 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.06 57.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.173 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 59.4 mt -116.48 136.33 53.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.236 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -112.66 115.55 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.72 112.01 20.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 111.05 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.33 18.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.207 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.0 96.33 5.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -120.34 122.5 68.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.56 -22.45 37.39 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 26' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' W' ' 26' ' ' SER . 30.6 t -56.59 144.96 29.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.231 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.18 -2.01 30.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.4 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.193 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.33 36.38 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -172.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.04 149.41 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 111.268 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.09 119.92 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.27 130.67 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.215 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.97 123.43 2.12 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.24 141.1 50.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.249 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.45 11.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.88 111.71 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.229 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.1 -4.49 48.86 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.65 10.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.46 -51.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 0.0 111.168 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -175.581 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.774 0.321 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.47 139.05 57.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 59.4 mt -116.42 136.38 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.71 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.69 112.12 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.6 111.05 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 174.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.65 108.23 18.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.224 175.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.25 113.54 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.235 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.199 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -120.39 122.43 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.59 -22.46 37.3 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -56.55 144.98 29.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.13 -2.25 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 174.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.59 176.38 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.27 36.35 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -172.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.37 28.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 111.242 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.1 119.86 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.238 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.22 130.74 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.24 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.33 2.09 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.19 141.1 50.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 111.224 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.27 106.51 11.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.88 111.69 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.04 -4.38 48.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.68 -128.7 10.47 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.46 -51.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 111.217 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -175.582 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.731 0.3 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.76 142.31 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -173.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.83 135.59 53.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -126.12 125.33 67.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.25 116.59 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.206 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -98.08 125.02 42.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' X' ' 20' ' ' PHE . . . -134.81 117.69 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.68 130.95 23.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 174.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.96 117.26 25.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -120.91 120.15 61.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.05 27.75 73.55 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 172.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' X' ' 26' ' ' SER . 40.0 t -96.07 151.14 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.202 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -83.62 -12.84 55.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.219 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.85 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.86 160.06 38.6 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.54 147.94 35.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.24 105.27 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.46 116.99 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -171.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 110.8 1.28 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' Y' ' 34' ' ' LEU . 10.4 tt -125.66 127.34 46.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.248 -176.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.54 130.14 47.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.912 HG11 HD21 ' Y' ' 17' ' ' LEU . 2.5 p -127.26 135.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.56 10.08 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.17 51.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' Y' ' 39' ' ' VAL . 90.6 t -114.33 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.732 0.301 . . . . 0.0 111.166 172.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 C--O 1.2 -1.536 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 179.663 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.32 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -173.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.417 HD21 HG11 ' E' ' 36' ' ' VAL . 5.3 mp -123.88 135.61 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.12 125.34 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.26 116.56 20.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.04 125.0 42.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.86 117.77 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.72 130.91 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.24 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.19 25.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.24 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.82 120.15 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.211 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.12 27.75 73.55 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -96.1 151.19 19.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.191 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.61 -12.88 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.21 150.85 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 160.0 38.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.55 148.03 35.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.826 0.346 . . . . 0.0 111.193 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.31 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 -171.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.97 110.79 1.26 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.415 ' C ' HD23 ' B' ' 34' ' ' LEU . 10.4 tt -125.62 127.36 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.184 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.6 130.08 46.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.2 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.2 135.34 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.6 10.1 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.23 51.81 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -175.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.22 -56.88 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 111.231 172.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.713 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.784 0.326 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.75 142.28 35.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.564 HD21 HG11 ' F' ' 36' ' ' VAL . 5.3 mp -123.81 135.62 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.236 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.16 125.31 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.61 20.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.723 ' O ' ' HB3' ' F' ' 21' ' ' ALA . 54.0 t80 -98.04 124.96 42.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.8 117.77 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.74 130.92 23.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.23 25.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.8 120.16 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.09 27.75 73.55 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' F' ' 26' ' ' SER . 39.9 t -96.09 151.19 19.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 111.202 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.64 -12.92 55.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.178 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.11 150.83 41.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 159.99 38.6 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.95 35.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 111.149 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.31 105.28 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 176.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.44 117.1 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.91 110.76 1.26 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.406 HD23 ' C ' ' C' ' 34' ' ' LEU . 10.4 tt -125.63 127.44 46.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.165 -176.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.17 46.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.481 HG23 HG13 ' F' ' 36' ' ' VAL . 2.5 p -127.22 135.38 63.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.63 15.55 10.16 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.17 51.83 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.28 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.211 172.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.275 179.648 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.34 35.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.933 HD21 HG11 ' G' ' 36' ' ' VAL . 5.3 mp -123.89 135.53 53.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.06 125.38 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.3 116.54 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -98.02 124.92 42.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.74 117.72 16.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.73 130.88 23.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.209 174.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.94 117.33 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.93 120.11 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.79 73.57 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 172.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -96.03 151.15 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 111.199 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.65 -12.86 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.18 150.71 41.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.66 159.99 38.92 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.5 147.93 35.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.196 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.26 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.25 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.42 117.06 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.76 1.26 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' G' ' 34' ' ' LEU . 10.4 tt -125.64 127.44 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.192 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.25 135.36 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.69 15.61 10.06 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.2 51.75 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -175.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.32 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 111.161 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.284 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.84 0.353 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.7 142.36 35.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.416 HD21 HG11 ' H' ' 36' ' ' VAL . 5.3 mp -123.9 135.67 53.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.17 125.32 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.51 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.01 124.93 42.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.75 117.73 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.75 130.94 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.3 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.205 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -120.96 120.14 61.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.7 73.54 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 172.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.03 151.19 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.76 -12.79 55.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.144 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.19 150.7 41.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.233 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.62 159.91 38.91 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.48 147.97 35.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.178 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.2 105.19 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.238 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -116.36 117.02 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.246 -171.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.88 110.76 1.27 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.416 HD23 ' C ' ' E' ' 34' ' ' LEU . 10.4 tt -125.61 127.42 46.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 111.191 -176.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.13 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.417 HG11 HD21 ' B' ' 17' ' ' LEU . 2.5 p -127.29 135.35 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 15.51 10.14 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.92 -156.22 51.95 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.26 -56.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.189 172.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.834 0.349 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.86 142.3 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.566 HD21 HG11 ' I' ' 36' ' ' VAL . 5.3 mp -123.78 135.63 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -126.12 125.34 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.229 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.27 116.5 19.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.719 ' O ' ' HB3' ' I' ' 21' ' ' ALA . 53.7 t80 -98.05 125.04 42.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' C' ' 20' ' ' PHE . . . -134.8 117.82 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.94 23.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 174.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.97 117.25 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -120.83 120.07 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.205 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.25 27.62 73.53 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' I' ' 26' ' ' SER . 39.9 t -95.98 151.18 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.714 0.292 . . . . 0.0 111.236 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.66 -12.89 55.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.78 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.76 160.03 38.76 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.55 148.01 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 111.159 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.33 105.17 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.44 117.12 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 -171.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.69 1.26 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.405 HD23 ' C ' ' F' ' 34' ' ' LEU . 10.4 tt -125.56 127.33 46.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 111.285 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.51 130.03 46.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.248 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.564 HG11 HD21 ' C' ' 17' ' ' LEU . 2.5 p -127.16 135.33 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.77 15.45 10.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.88 -156.14 51.89 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -114.31 -57.01 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 0.0 111.121 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.247 179.688 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.813 0.339 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.35 35.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -173.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.928 HD21 HG11 ' J' ' 36' ' ' VAL . 5.3 mp -123.85 135.64 53.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -126.2 125.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.21 116.57 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -98.11 124.96 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.78 117.73 16.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.69 130.94 23.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.233 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -122.0 117.3 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.82 120.06 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.17 27.67 73.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -95.98 151.12 19.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 111.277 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.62 -12.88 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.241 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.78 41.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.71 159.92 38.75 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 148.0 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 111.24 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 42.3 mm -101.28 105.27 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.44 117.1 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.98 110.78 1.26 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' D' ' 34' ' ' LEU . 10.4 tt -125.68 127.4 46.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 111.186 -176.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.13 46.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.933 HG11 HD21 ' D' ' 17' ' ' LEU . 2.5 p -127.33 135.32 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.55 10.07 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.93 -156.2 51.97 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.31 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 179.701 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.854 0.359 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.34 35.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -173.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.413 HD21 HG11 ' K' ' 36' ' ' VAL . 5.3 mp -123.91 135.65 53.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.14 125.36 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 174.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.28 116.53 19.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.08 125.05 42.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.77 117.84 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.98 117.24 25.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.205 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.82 120.14 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.18 27.73 73.55 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 172.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.06 151.21 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.0 111.186 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.69 -12.83 55.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.14 150.8 41.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.81 159.98 38.6 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 147.96 35.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 0.0 111.2 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.29 105.31 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.46 117.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.81 1.27 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.411 HD23 ' C ' ' H' ' 34' ' ' LEU . 10.4 tt -125.67 127.42 46.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 111.191 -176.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.62 130.13 46.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 176.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.416 HG11 HD21 ' E' ' 17' ' ' LEU . 2.5 p -127.29 135.31 63.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.59 10.07 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.2 51.72 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.31 -56.81 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 111.201 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.698 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.783 0.325 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.68 142.29 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 -173.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.566 HD21 HG11 ' L' ' 36' ' ' VAL . 5.3 mp -123.86 135.64 53.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.204 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -126.12 125.31 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 174.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.28 116.49 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -176.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.718 ' O ' ' HB3' ' L' ' 21' ' ' ALA . 53.4 t80 -98.05 124.99 42.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' F' ' 20' ' ' PHE . . . -134.7 117.73 16.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.223 174.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.29 26.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.92 120.19 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 172.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 26' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' L' ' 26' ' ' SER . 40.0 t -96.04 151.12 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.197 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.65 -12.89 55.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.11 150.76 41.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.74 159.96 38.74 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.43 147.97 35.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 111.217 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.35 105.27 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -116.45 117.16 54.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -171.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.95 110.78 1.26 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.408 HD23 ' C ' ' I' ' 34' ' ' LEU . 10.4 tt -125.66 127.35 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -176.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.56 130.14 46.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.183 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.566 HG11 HD21 ' F' ' 17' ' ' LEU . 2.5 p -127.27 135.32 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 15.68 10.02 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.77 -156.25 51.59 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -175.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.23 -56.87 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 111.194 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 179.69 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.742 0.306 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.67 142.34 35.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.922 HD21 HG11 ' M' ' 36' ' ' VAL . 5.3 mp -123.87 135.58 53.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.298 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -126.08 125.36 67.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.34 116.56 19.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.08 124.96 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.222 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.79 117.81 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.83 130.94 23.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.92 117.18 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.243 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -120.85 120.09 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.18 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -95.98 151.2 19.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.777 0.322 . . . . 0.0 111.235 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.68 -12.86 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.216 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.84 41.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.96 38.51 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.51 148.0 35.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.222 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.29 105.25 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -116.46 117.07 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 110.85 1.28 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' M' ' 34' ' ' LEU . 10.4 tt -125.74 127.38 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 111.107 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.57 130.2 47.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.928 HG11 HD21 ' G' ' 17' ' ' LEU . 2.5 p -127.28 135.35 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.73 15.55 10.08 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.19 51.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.26 -56.94 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.16 172.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.735 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 120.861 0.362 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.73 142.25 35.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -173.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.407 HD21 HG11 ' N' ' 36' ' ' VAL . 5.3 mp -123.84 135.62 53.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -126.13 125.31 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.49 19.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -98.08 124.88 42.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.68 117.8 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.77 130.87 23.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.199 174.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.92 117.2 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -120.81 120.16 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 27.68 73.54 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 172.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.04 151.21 19.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 111.214 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.7 -12.85 55.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.14 150.81 41.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.72 159.95 38.76 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 148.01 35.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 111.209 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.28 105.23 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.09 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.73 1.26 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.412 HD23 ' C ' ' K' ' 34' ' ' LEU . 10.4 tt -125.61 127.38 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 111.239 -176.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.413 HG11 HD21 ' H' ' 17' ' ' LEU . 2.5 p -127.24 135.33 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.51 10.13 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.91 -156.17 51.95 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -175.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 90.0 t -114.32 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 111.246 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.81 142.25 35.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.567 HD21 HG11 ' O' ' 36' ' ' VAL . 5.3 mp -123.84 135.61 53.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.13 125.33 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.28 116.52 19.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 20' ' ' PHE . . . . . 0.72 ' O ' ' HB3' ' O' ' 21' ' ' ALA . 53.6 t80 -98.02 124.95 42.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 21' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' I' ' 20' ' ' PHE . . . -134.78 117.81 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.76 130.89 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.206 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.27 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -120.82 120.13 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.262 -175.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.21 27.63 73.53 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 26' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' O' ' 26' ' ' SER . 39.9 t -96.03 151.12 19.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 0.0 111.246 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.67 -12.79 55.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.89 41.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.88 159.99 38.47 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 147.98 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 111.207 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.37 116.97 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 110.82 1.28 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.408 HD23 ' C ' ' L' ' 34' ' ' LEU . 10.4 tt -125.68 127.37 46.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.348 . . . . 0.0 111.192 -176.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.6 130.15 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.566 HG11 HD21 ' I' ' 17' ' ' LEU . 2.5 p -127.2 135.35 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 15.57 10.11 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 -156.19 51.85 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.25 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 111.229 172.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.676 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 120.845 0.355 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.3 35.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.914 HD21 HG11 ' P' ' 36' ' ' VAL . 5.3 mp -123.82 135.6 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -126.21 125.26 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.25 116.51 19.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.01 124.91 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 117.78 16.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.78 130.85 23.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 174.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.87 117.33 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 97.7 t -120.88 120.13 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.66 73.53 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 172.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -95.95 151.17 19.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.212 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.69 -12.89 55.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.1 150.89 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.98 38.54 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.98 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 111.27 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.27 105.28 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.49 117.15 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.91 110.76 1.26 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' J' ' 34' ' ' LEU . 10.4 tt -125.71 127.42 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.212 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.922 HG11 HD21 ' J' ' 17' ' ' LEU . 2.5 p -127.26 135.39 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.62 15.66 10.07 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.8 -156.22 51.69 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.25 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.229 172.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.637 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.817 0.341 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.34 35.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.403 HD21 HG11 ' Q' ' 36' ' ' VAL . 5.3 mp -123.82 135.62 53.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.18 125.25 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.25 116.54 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -176.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.03 124.88 42.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.69 117.81 16.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.91 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.97 117.29 26.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.85 120.12 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.229 -174.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.78 73.56 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.1 151.21 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.16 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.66 -12.87 55.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.79 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 160.02 38.73 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.54 148.02 35.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.197 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.22 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.37 117.11 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 -171.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.82 1.27 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' N' ' 34' ' ' LEU . 10.4 tt -125.7 127.3 46.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 111.193 -176.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.48 130.14 47.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.407 HG11 HD21 ' K' ' 17' ' ' LEU . 2.5 p -127.28 135.3 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.205 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.64 10.02 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.22 51.74 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.3 -56.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 179.676 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.887 0.375 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 142.27 35.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.266 -173.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.565 HD21 HG11 ' R' ' 36' ' ' VAL . 5.3 mp -123.78 135.65 53.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.16 125.31 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.211 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.29 116.63 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 20' ' ' PHE . . . . . 0.72 ' O ' ' HB3' ' R' ' 21' ' ' ALA . 53.5 t80 -98.13 124.97 42.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' L' ' 20' ' ' PHE . . . -134.74 117.79 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.79 130.89 23.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.256 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.26 26.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.85 120.11 61.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.12 27.77 73.56 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 172.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 26' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' R' ' 26' ' ' SER . 39.7 t -96.14 151.25 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.191 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.7 -12.88 55.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.82 41.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 159.93 38.65 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.41 148.0 35.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.228 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.33 105.23 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.07 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -171.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 110.76 1.27 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.409 HD23 ' C ' ' O' ' 34' ' ' LEU . 10.4 tt -125.68 127.4 46.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 111.241 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.05 46.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.567 HG11 HD21 ' L' ' 17' ' ' LEU . 2.5 p -127.2 135.41 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.178 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.63 15.62 10.1 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.79 -156.25 51.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.24 -56.95 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.186 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.251 179.651 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.74 142.31 35.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.285 -173.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.904 HD21 HG11 ' S' ' 36' ' ' VAL . 5.3 mp -123.86 135.58 53.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.1 125.28 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 174.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.26 116.56 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.07 124.95 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.69 117.74 16.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.26 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.79 130.85 23.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.19 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.86 117.27 26.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.244 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.89 120.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -96.01 151.15 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.59 -12.86 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.18 150.85 41.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.78 159.94 38.64 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.44 147.96 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.3 105.28 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.48 117.01 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.186 -171.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 110.82 1.28 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' S' ' 34' ' ' LEU . 10.4 tt -125.68 127.41 46.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.17 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.11 46.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.914 HG11 HD21 ' M' ' 17' ' ' LEU . 2.5 p -127.24 135.45 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.61 15.53 10.19 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.95 -156.22 51.99 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' S' ' 39' ' ' VAL . 90.4 t -114.28 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.192 172.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 179.665 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.34 35.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . 0.401 HD21 HG11 ' T' ' 36' ' ' VAL . 5.3 mp -123.79 135.6 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.07 125.21 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.22 116.57 20.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.205 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.09 124.93 42.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.67 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.27 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.72 130.88 23.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.23 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.88 120.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.05 27.81 73.57 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.11 151.2 19.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.871 0.367 . . . . 0.0 111.137 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.72 -12.8 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.275 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.85 41.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.184 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.91 159.99 38.43 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 148.01 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.758 0.313 . . . . 0.0 111.212 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.43 117.05 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.182 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 110.76 1.27 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' Q' ' 34' ' ' LEU . 10.4 tt -125.65 127.4 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.735 0.303 . . . . 0.0 111.184 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.66 130.09 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . 0.403 HG11 HD21 ' N' ' 17' ' ' LEU . 2.5 p -127.17 135.33 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.74 15.6 10.04 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.18 51.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.29 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 111.208 172.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.72 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.794 0.331 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.67 142.31 35.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 17' ' ' LEU . . . . . 0.566 HD21 HG11 ' U' ' 36' ' ' VAL . 5.3 mp -123.84 135.63 53.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.12 125.29 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.56 20.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 20' ' ' PHE . . . . . 0.719 ' O ' ' HB3' ' U' ' 21' ' ' ALA . 54.0 t80 -98.08 124.88 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' O' ' 20' ' ' PHE . . . -134.68 117.82 16.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.92 117.27 26.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.92 120.18 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.08 27.74 73.55 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 172.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 26' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' O' ' 26' ' ' SER . 39.6 t -96.12 151.23 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -83.72 -12.81 55.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.21 150.8 41.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.74 159.99 38.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.97 35.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.825 0.345 . . . . 0.0 111.235 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.32 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.42 117.14 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.93 110.74 1.26 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.414 HD23 ' C ' ' R' ' 34' ' ' LEU . 10.4 tt -125.66 127.35 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 111.163 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.17 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 36' ' ' VAL . . . . . 0.565 HG11 HD21 ' O' ' 17' ' ' LEU . 2.5 p -127.24 135.25 64.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.58 10.04 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 -156.24 51.82 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -175.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.21 -56.86 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.265 172.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.198 -1.621 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.719 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.813 0.339 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.75 142.38 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 0.897 HD21 HG11 ' V' ' 36' ' ' VAL . 5.3 mp -123.87 135.6 53.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.08 125.33 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.35 116.56 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 -176.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.01 125.0 42.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.82 117.79 16.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.75 130.88 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.226 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.94 117.26 26.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.215 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 97.9 t -120.85 120.17 61.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 172.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.09 151.23 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.17 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.69 -12.84 55.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.16 150.8 41.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.208 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.99 38.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.51 148.06 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.36 105.22 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.42 117.05 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.86 110.78 1.27 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' P' ' 34' ' ' LEU . 10.4 tt -125.63 127.41 46.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.193 -176.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.09 46.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 36' ' ' VAL . . . . . 0.904 HG11 HD21 ' P' ' 17' ' ' LEU . 2.5 p -127.2 135.41 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.61 15.56 10.17 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.21 51.73 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 39' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' V' ' 39' ' ' VAL . 89.6 t -114.24 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.166 172.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.721 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.74 142.36 35.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 17' ' ' LEU . . . . . 0.404 HD21 HG11 ' W' ' 36' ' ' VAL . 5.3 mp -123.9 135.63 53.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.15 125.35 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.3 116.52 19.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -98.06 124.89 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.86 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.199 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.94 117.35 26.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 99.3 t -120.91 120.16 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.74 73.55 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 172.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.07 151.19 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.177 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.72 -12.8 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.16 150.84 41.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.75 159.95 38.69 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.45 148.01 35.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.244 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.19 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.207 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.36 117.02 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -171.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.85 110.78 1.27 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' T' ' 34' ' ' LEU . 10.4 tt -125.62 127.45 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.254 -176.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.61 130.06 46.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 36' ' ' VAL . . . . . 0.401 HG11 HD21 ' Q' ' 17' ' ' LEU . 2.5 p -127.18 135.34 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.68 15.61 10.07 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.17 51.78 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.23 -56.97 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 111.275 172.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.258 179.626 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.771 0.319 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.35 35.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.201 -173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 17' ' ' LEU . . . . . 0.563 HD21 HG11 ' X' ' 36' ' ' VAL . 5.3 mp -123.83 135.56 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -126.13 125.4 67.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.184 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.32 116.6 20.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 20' ' ' PHE . . . . . 0.717 ' O ' ' HB3' ' X' ' 21' ' ' ALA . 53.5 t80 -98.07 124.95 42.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.205 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' U' U ' 21' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' R' ' 20' ' ' PHE . . . -134.74 117.79 16.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.8 130.91 23.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.97 117.24 25.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -120.87 120.18 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.7 73.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 26' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' X' ' 26' ' ' SER . 39.8 t -96.09 151.19 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 0.0 111.192 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -83.74 -12.76 55.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.16 150.83 41.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.88 159.99 38.49 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.48 147.96 35.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 111.213 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.34 105.33 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.05 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -171.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.75 1.26 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 34' ' ' LEU . . . . . 0.416 ' C ' HD23 ' U' ' 34' ' ' LEU . 10.4 tt -125.7 127.37 46.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.24 -176.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.11 46.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 36' ' ' VAL . . . . . 0.566 HG11 HD21 ' R' ' 17' ' ' LEU . 2.5 p -127.27 135.31 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 178.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.46 10.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.84 -156.21 51.77 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.19 -56.9 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 172.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.738 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.75 0.31 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 142.29 35.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 17' ' ' LEU . . . . . 0.904 HD21 HG11 ' Y' ' 36' ' ' VAL . 5.3 mp -123.83 135.63 53.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.15 125.39 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 174.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.29 116.52 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.233 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.06 124.94 42.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.72 117.78 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.94 23.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.96 117.33 26.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.92 120.17 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -174.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 172.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.01 151.16 19.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.75 -12.74 55.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.196 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.82 41.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.79 159.98 38.65 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.56 147.96 35.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 111.203 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.23 105.27 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.242 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.44 117.07 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 -171.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.72 1.26 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' Y' ' 34' ' ' LEU . 10.4 tt -125.64 127.45 46.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 111.239 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.62 130.1 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 36' ' ' VAL . . . . . 0.897 HG11 HD21 ' S' ' 17' ' ' LEU . 2.5 p -127.19 135.3 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.73 15.59 10.05 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.85 -156.16 51.84 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 39' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' Y' ' 39' ' ' VAL . 89.2 t -114.3 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 111.195 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.191 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.773 0.321 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.76 142.34 35.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 17' ' ' LEU . . . . . 0.408 HD21 HG11 ' Z' ' 36' ' ' VAL . 5.3 mp -123.88 135.52 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -126.06 125.24 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.216 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.26 116.55 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 -176.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -98.05 124.88 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 117.8 16.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.78 130.87 23.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.89 117.23 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.85 120.17 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.11 27.74 73.55 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 172.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.11 151.24 19.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.71 -12.86 55.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.2 150.75 41.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.76 159.99 38.72 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.98 35.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.28 105.24 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.43 117.1 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -171.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.79 1.27 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' W' ' 34' ' ' LEU . 10.4 tt -125.62 127.36 46.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.234 -176.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.07 46.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 36' ' ' VAL . . . . . 0.404 HG11 HD21 ' T' ' 17' ' ' LEU . 2.5 p -127.24 135.33 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.68 15.61 10.07 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.84 -156.16 51.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.33 -56.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 0.0 111.206 172.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 179.647 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.746 0.308 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.33 35.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.246 -173.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.562 HD21 HG11 ' A' ' 36' ' ' VAL . 5.3 mp -123.86 135.57 53.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.27 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -126.08 125.34 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.51 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 20' ' ' PHE . . . . . 0.712 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 53.8 t80 -98.02 124.9 42.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 21' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' U' ' 20' ' ' PHE . . . -134.65 117.75 16.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.308 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.87 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.163 174.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.88 117.18 25.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.25 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 96.7 t -120.77 120.16 61.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 -175.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 27.63 73.52 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 26' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 26' ' ' SER . 40.0 t -95.91 151.19 19.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.762 0.315 . . . . 0.0 111.215 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.71 -12.91 55.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.12 150.78 41.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.86 160.01 38.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.93 35.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 111.181 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.15 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.34 117.09 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -171.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.77 1.27 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 34' ' ' LEU . . . . . 0.413 ' C ' HD23 ' X' ' 34' ' ' LEU . 10.4 tt -125.69 127.38 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 111.222 -176.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.17 47.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 36' ' ' VAL . . . . . 0.563 HG11 HD21 ' U' ' 17' ' ' LEU . 2.5 p -127.27 135.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.68 10.02 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.19 51.73 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.26 -56.87 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.251 179.656 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.777 0.322 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.75 142.34 35.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.259 -173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 17' ' ' LEU . . . . . 0.912 HD21 HG11 ' A' ' 36' ' ' VAL . 5.3 mp -123.89 135.6 53.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.1 125.37 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.29 116.55 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.05 124.85 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.82 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.14 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.77 130.92 23.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.246 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.96 117.24 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -120.88 120.13 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.2 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.05 151.18 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 111.159 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -83.66 -12.9 55.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.03 150.76 41.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.285 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 160.0 38.71 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 147.99 35.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 111.186 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.24 105.26 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -116.45 117.12 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -171.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.76 1.26 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 10.4 tt -125.64 127.42 46.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 -176.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.57 130.12 46.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 36' ' ' VAL . . . . . 0.904 HG11 HD21 ' V' ' 17' ' ' LEU . 2.5 p -127.24 135.3 63.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.62 10.08 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.89 -156.26 51.86 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -175.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 39' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' VAL . 89.5 t -114.24 -56.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 111.196 172.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 91.3 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 179.67 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.834 0.35 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.32 35.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 -173.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.84 135.64 53.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.1 125.37 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.34 116.56 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.167 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.01 124.94 42.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.237 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.75 117.77 16.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.76 131.0 23.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.99 117.28 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.2 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.86 120.17 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 172.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.05 151.24 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.239 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.73 -12.91 55.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.1 150.86 41.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 159.99 38.61 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.94 35.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 111.183 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.24 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.41 117.14 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.79 1.27 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 34' ' ' LEU . . . . . 0.413 ' C ' HD23 ' Z' ' 34' ' ' LEU . 10.4 tt -125.63 127.38 46.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.61 130.13 46.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 36' ' ' VAL . . . . . 0.408 HG11 HD21 ' W' ' 17' ' ' LEU . 2.5 p -127.27 135.38 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 15.49 10.16 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.88 -156.21 51.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.23 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 111.234 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.743 0.306 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.77 142.35 35.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.221 -173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.89 135.57 53.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.14 125.36 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.32 116.47 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.198 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -97.97 124.97 42.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.72 117.7 16.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.8 130.96 23.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.95 117.23 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.236 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.88 120.22 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -174.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.04 27.78 73.56 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.06 151.26 19.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.354 . . . . 0.0 111.168 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -83.75 -12.84 55.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.78 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.8 160.01 38.66 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.49 148.0 35.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.184 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.33 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -116.44 117.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.8 1.27 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tt -125.62 127.44 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.15 -176.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.69 130.13 46.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.21 135.31 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.57 10.09 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.77 -156.2 51.63 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.25 -56.9 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 111.206 172.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.191 179.705 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.592 ' OE1' ' HA ' ' A' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.844 0.354 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.19 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD23 HD13 ' X' ' 17' ' ' LEU . 45.6 tp -129.43 118.38 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 176.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -127.42 128.74 70.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.09 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.239 -175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.59 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 173.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.22 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.42 115.95 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.91 99.21 5.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.69 125.97 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.201 -174.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.75 72.83 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 173.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.19 150.53 21.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.176 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -90.23 -3.5 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.86 158.33 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.37 11.7 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.39 21.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 111.2 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.2 125.61 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 170.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.66 122.96 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.162 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.72 107.92 0.95 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 173.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.416 ' HB2' HD22 ' Y' ' 34' ' ' LEU . 39.0 mt -112.09 123.92 51.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 111.18 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.43 126.16 41.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.6 t -112.27 121.34 64.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 177.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.61 46.5 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.75 -149.8 26.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.27 119.87 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.195 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 -176.218 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.596 ' HA ' ' OE1' ' B' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.838 0.351 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.05 34.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 tp -129.39 118.43 22.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.219 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.1 t -127.37 128.75 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.1 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.44 111.5 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 173.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.23 14.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.239 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.49 115.95 31.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.95 99.25 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.66 125.99 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.229 -174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.75 72.82 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -98.21 150.52 21.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 111.263 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.23 -3.54 57.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.195 176.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.34 44.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.93 -141.31 11.66 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -171.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.15 151.35 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.22 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.11 125.62 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 170.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.72 122.96 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -169.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.9 0.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -112.04 123.92 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 111.215 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.43 126.26 42.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.168 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 82.9 t -112.29 121.29 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.55 46.48 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.65 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.35 119.88 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.176 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -176.178 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.602 ' HA ' ' OE1' ' C' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.783 0.325 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.08 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.401 HD13 HD23 ' F' ' 17' ' ' LEU . 45.7 tp -129.46 118.44 22.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.257 176.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -127.39 128.74 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.252 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.34 121.09 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -175.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.53 111.47 23.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 173.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.24 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.39 115.9 31.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.92 99.26 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.69 125.93 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.251 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.66 72.89 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.16 150.56 21.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.2 -3.57 57.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.213 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.91 158.36 44.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.233 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.94 -141.34 11.68 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -171.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.32 21.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.15 125.62 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.242 170.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.62 122.95 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.236 -169.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.7 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.09 123.95 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.155 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.51 126.15 41.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.16 121.27 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.254 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.91 139.61 46.56 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.69 25.89 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.33 119.85 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.241 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 -176.113 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.598 ' HA ' ' OE1' ' D' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.13 34.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.5 22.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.47 128.75 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.37 121.04 32.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.39 111.51 23.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.262 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.28 106.25 14.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.98 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.211 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.96 99.29 5.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.76 125.92 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.75 72.83 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.17 150.55 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 111.221 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.29 -3.5 57.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.4 44.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.99 -141.3 11.63 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.38 21.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.19 125.54 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.59 122.95 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.241 -169.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.91 0.95 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' G' ' 34' ' ' LEU . 39.3 mt -112.09 123.99 51.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.52 126.27 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.3 121.32 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.98 139.53 46.42 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.65 -149.72 25.94 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -113.38 119.95 62.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.219 -176.176 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' E' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.816 0.341 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.6 123.16 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.42 118.48 22.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.48 128.85 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.38 121.02 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.38 111.55 24.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.275 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.22 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.45 115.91 31.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.87 99.23 5.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.67 125.97 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.212 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.89 28.66 72.87 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 173.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.1 150.56 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 111.234 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.31 -3.49 57.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.181 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.28 44.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.26 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.88 -141.32 11.68 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.11 151.32 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 111.228 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -118.09 125.6 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 170.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 122.94 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.96 0.96 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 mt -112.13 123.97 51.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 111.236 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.53 126.27 41.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 82.4 t -112.32 121.37 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.97 139.56 46.44 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.67 25.87 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.35 119.93 62.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.34 . . . . 0.0 111.172 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -176.136 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.6 ' OE1' ' HA ' ' F' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.815 0.341 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.49 123.1 35.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.243 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.401 HD23 HD13 ' C' ' 17' ' ' LEU . 45.6 tp -129.39 118.4 22.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 75.1 t -127.35 128.71 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.12 33.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.49 111.58 24.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.29 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.98 31.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.199 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.87 99.21 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -128.71 125.98 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.65 72.9 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.1 150.59 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.221 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.31 -3.51 57.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.37 44.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.28 11.61 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -171.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.32 21.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.211 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.15 125.62 74.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 170.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.65 122.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.94 0.95 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 38.7 mt -112.08 123.85 51.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 111.234 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.4 126.22 42.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.255 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.25 121.28 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.195 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.9 139.53 46.54 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.69 -149.71 25.92 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.27 119.88 61.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 -176.269 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.596 ' HA ' ' OE1' ' G' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.851 0.357 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.56 123.06 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.46 118.51 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.45 128.75 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.255 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.0 32.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.5 23.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.22 106.17 14.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.38 115.9 31.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.219 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.85 99.24 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -128.72 125.9 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.18 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 28.65 72.87 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.09 150.64 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.2 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.33 -3.54 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.98 158.31 44.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.92 -141.33 11.68 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.36 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 111.241 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.17 125.57 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.211 170.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.59 123.0 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 107.94 0.95 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.413 HD22 ' HB2' ' J' ' 34' ' ' LEU . 39.1 mt -112.14 123.93 51.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 111.178 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.49 126.17 41.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 82.8 t -112.22 121.22 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.88 139.61 46.61 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.77 -149.66 25.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 79.3 t -113.37 119.88 61.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.132 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.199 -1.604 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.262 -176.28 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' H' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.55 123.06 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.193 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 tp -129.39 118.52 22.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 76.2 t -127.47 128.73 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 121.14 33.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.44 111.51 23.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.29 106.13 14.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.38 115.84 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.283 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.83 99.33 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -128.74 125.95 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.79 28.62 72.95 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.56 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 111.188 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.18 -3.65 57.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.78 158.41 44.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.219 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.03 -141.33 11.65 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -171.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.34 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.13 125.68 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 170.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.72 122.99 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -170.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.69 107.87 0.95 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 173.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.07 123.85 51.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.231 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.42 126.21 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.2 121.31 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.6 46.59 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.75 25.97 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 78.8 t -113.35 119.93 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.507 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.199 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.601 ' HA ' ' OE1' ' I' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.855 0.36 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.49 123.09 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.217 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.4 HD13 HD23 ' L' ' 17' ' ' LEU . 45.5 tp -129.47 118.48 22.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 176.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.37 128.72 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.262 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.03 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.257 -175.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.55 24.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.264 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.26 14.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.48 115.82 31.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.81 99.22 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.76 125.94 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -174.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.79 28.73 72.87 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.17 150.56 21.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.33 -3.43 57.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.4 44.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.35 11.67 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.29 21.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.236 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.16 125.68 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 170.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.63 122.94 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.245 -170.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.9 0.95 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.09 123.96 51.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 111.195 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.45 126.17 41.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 81.1 t -112.11 121.31 64.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.01 139.56 46.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.66 -149.7 25.91 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.28 119.92 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.141 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.201 -1.466 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -176.251 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.595 ' HA ' ' OE1' ' J' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.13 35.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.49 118.49 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 74.5 t -127.41 128.73 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.03 32.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.51 23.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.29 106.26 14.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.89 31.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.92 99.27 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 92.5 t -128.7 125.94 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -174.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.87 28.61 72.92 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.09 150.56 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.193 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.22 -3.57 57.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.22 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.87 158.36 44.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.35 11.66 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -171.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.34 21.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.16 125.63 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 170.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 123.07 70.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -169.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.96 0.95 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.413 ' HB2' HD22 ' G' ' 34' ' ' LEU . 39.3 mt -112.12 123.99 51.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 64.9 ttp -127.54 126.24 41.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 82.2 t -112.26 121.22 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.84 139.59 46.67 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.68 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 77.8 t -113.26 119.92 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 0.0 111.19 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -176.182 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' K' K ' 15' ' ' GLN . . . . . 0.6 ' OE1' ' HA ' ' K' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.56 123.08 34.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.215 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.43 118.43 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.206 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.46 128.78 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.04 32.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.39 111.52 23.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.32 106.26 14.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.9 31.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.9 99.26 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.211 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.7 125.94 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.287 -174.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.72 72.82 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 173.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.18 150.54 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 111.196 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.22 -3.6 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.94 158.31 44.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.87 -141.4 11.74 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -171.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.42 21.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 111.22 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.23 125.64 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.69 123.02 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 107.91 0.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 39.4 mt -112.1 123.92 51.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.134 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.21 42.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.21 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 82.4 t -112.25 121.35 64.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.06 139.61 46.33 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.68 -149.67 25.86 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.3 119.91 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.181 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.207 -176.196 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' L' L ' 15' ' ' GLN . . . . . 0.601 ' HA ' ' OE1' ' L' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.876 0.37 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.13 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.4 HD23 HD13 ' I' ' 17' ' ' LEU . 45.5 tp -129.44 118.52 22.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 176.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -127.52 128.79 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.42 121.05 32.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.43 111.51 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.31 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.52 115.97 31.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.96 99.29 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.73 125.94 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.25 -174.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.7 72.87 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.56 21.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.768 0.318 . . . . 0.0 111.233 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.22 -3.56 57.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.34 44.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.88 -141.34 11.69 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -171.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.18 151.29 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 111.193 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.07 125.59 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 170.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.6 122.99 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.9 0.95 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.11 123.89 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.25 42.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.192 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 82.3 t -112.21 121.39 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.02 139.61 46.39 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.76 -149.77 25.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.23 119.93 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 111.2 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -176.222 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' M' M ' 15' ' ' GLN . . . . . 0.592 ' HA ' ' OE1' ' M' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.784 0.326 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.06 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.48 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.38 128.73 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.221 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.31 121.03 32.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.53 24.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.19 106.22 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.46 115.91 31.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.82 99.28 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.74 125.98 64.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.68 72.89 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 173.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.13 150.53 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 111.191 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.15 -3.59 57.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.35 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 -141.34 11.69 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -171.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.1 151.41 21.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 0.0 111.248 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.16 125.67 74.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 170.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.63 122.92 70.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -169.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.75 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.414 HD22 ' HB2' ' P' ' 34' ' ' LEU . 38.9 mt -112.07 123.95 51.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 111.191 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.49 126.29 41.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 82.1 t -112.29 121.32 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.61 46.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.78 -149.7 25.89 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.27 119.89 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 111.223 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.246 -176.248 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 15' ' ' GLN . . . . . 0.602 ' HA ' ' OE1' ' N' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.787 0.327 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.59 123.1 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.206 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.38 118.44 22.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.213 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.39 128.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.228 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.41 121.04 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.167 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.53 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 173.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.25 14.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.96 31.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.93 99.32 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.7 125.92 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.77 72.82 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.19 150.51 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.18 -3.56 57.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.4 44.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.01 -141.29 11.62 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -171.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.18 151.41 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 111.169 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.19 125.61 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.54 123.04 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.233 -170.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.76 107.95 0.95 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.15 123.92 51.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 111.188 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.46 126.21 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.212 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.23 121.28 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.91 139.56 46.54 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.75 -149.72 25.92 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 77.9 t -113.28 119.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.183 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.199 -1.585 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.227 -176.212 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' O' O ' 15' ' ' GLN . . . . . 0.598 ' HA ' ' OE1' ' O' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.61 123.12 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.4 HD23 HD13 ' L' ' 17' ' ' LEU . 45.8 tp -129.44 118.44 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.48 128.84 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.44 121.04 32.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.5 111.58 24.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.205 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.23 14.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.214 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.49 115.99 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.91 99.25 5.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.197 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.69 125.9 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 28.74 72.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 173.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.18 150.54 21.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.684 0.278 . . . . 0.0 111.234 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.13 -3.68 57.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.253 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.84 158.31 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 -141.33 11.68 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -171.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.17 151.32 21.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.14 125.6 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 170.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.66 122.96 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 -169.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 107.93 0.95 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 mt -112.02 123.9 51.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.781 0.324 . . . . 0.0 111.224 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.43 126.24 42.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.236 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.17 121.28 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 139.62 46.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.77 -149.71 25.9 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.29 119.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 111.184 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.265 -176.241 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 15' ' ' GLN . . . . . 0.589 ' OE1' ' HA ' ' P' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.51 123.09 35.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 tp -129.48 118.38 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.231 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.42 128.82 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.199 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.37 120.99 32.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.42 111.5 23.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.245 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.16 106.2 14.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.93 31.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.204 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.88 99.14 5.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.73 125.93 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.192 -174.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.78 72.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 173.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.16 150.52 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.324 . . . . 0.0 111.203 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.26 -3.51 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.225 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.36 44.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.36 11.69 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.31 21.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 111.209 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.12 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.65 122.93 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.173 -169.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.88 0.95 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.414 ' HB2' HD22 ' M' ' 34' ' ' LEU . 39.0 mt -112.06 123.9 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 111.211 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.22 42.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -112.27 121.36 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.99 139.64 46.46 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.74 -149.72 25.92 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 78.0 t -113.32 119.91 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.212 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -176.195 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' Q' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.848 0.356 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.12 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.201 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.49 118.52 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -127.47 128.76 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.4 121.0 32.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 -175.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.36 111.48 23.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.252 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.34 14.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.57 115.96 31.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.88 99.21 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.232 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.67 125.89 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.91 28.67 72.84 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.19 150.56 21.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 111.153 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.24 -3.52 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.36 44.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.0 -141.33 11.66 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -171.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.3 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 111.23 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.17 125.66 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 170.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.61 122.99 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 -169.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.89 0.95 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.05 123.94 51.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 111.162 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.5 126.22 41.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.255 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 85.1 t -112.32 121.28 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 139.56 46.61 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.76 -149.76 25.97 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.26 119.92 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 111.248 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -176.145 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' R' R ' 15' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' R' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.809 0.338 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.61 123.11 34.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 17' ' ' LEU . . . . . 0.401 HD13 HD23 ' U' ' 17' ' ' LEU . 45.7 tp -129.42 118.49 22.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.209 176.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.48 128.8 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.42 121.03 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.156 -175.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.4 111.52 23.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.29 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.46 115.85 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 175.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.84 99.28 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.71 125.92 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -174.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 28.74 72.84 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.18 150.56 21.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 111.258 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -90.22 -3.57 57.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.37 44.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.97 -141.36 11.69 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -171.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.06 151.36 21.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.14 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.16 125.58 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.249 170.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.58 123.06 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -169.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.84 107.92 0.94 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 39.0 mt -112.09 123.94 51.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.196 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.52 126.24 41.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.3 121.36 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.98 139.58 46.44 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.71 -149.72 25.93 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.32 119.85 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 111.247 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.2 -1.534 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -176.162 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' S' S ' 15' ' ' GLN . . . . . 0.584 ' HA ' ' OE1' ' S' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.6 123.12 34.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.237 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.4 118.55 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.51 128.72 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.08 32.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.195 -175.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.53 24.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 173.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.34 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.56 115.96 31.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.83 99.25 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -128.73 125.98 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -174.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.7 72.84 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -98.24 150.56 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.176 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.19 -3.52 57.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.94 158.32 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.98 -141.39 11.71 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -171.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.06 151.38 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 111.182 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.19 125.64 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 170.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.67 122.98 70.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -169.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.81 107.94 0.95 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 34' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' V' ' 34' ' ' LEU . 39.1 mt -112.07 123.92 51.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.786 0.326 . . . . 0.0 111.188 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.48 126.2 41.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 83.6 t -112.25 121.22 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.83 139.53 46.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.73 -149.71 25.92 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 76.7 t -113.32 119.92 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 111.26 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 -176.122 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' T' T ' 15' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' T' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.55 123.05 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.236 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.48 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 74.2 t -127.4 128.76 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.231 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.38 121.0 32.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.267 -175.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.37 111.49 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.22 106.3 14.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.204 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.55 115.9 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.22 175.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.82 99.25 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.253 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.69 125.92 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.68 72.88 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.2 150.55 21.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.233 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.13 -3.66 57.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.231 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.8 158.36 44.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.91 -141.36 11.71 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -171.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.08 151.31 21.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 111.218 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.12 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.231 170.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.57 123.05 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.247 -170.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.91 0.95 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.05 123.92 51.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.47 126.23 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 83.4 t -112.2 121.26 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.62 46.5 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.74 -149.72 25.93 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.28 119.9 61.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.773 0.321 . . . . 0.0 111.236 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -176.217 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' U' U ' 15' ' ' GLN . . . . . 0.596 ' OE1' ' HA ' ' U' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.809 0.338 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.5 123.06 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 17' ' ' LEU . . . . . 0.402 HD13 HD23 ' X' ' 17' ' ' LEU . 45.5 tp -129.36 118.5 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 176.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.5 128.72 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.218 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.35 120.99 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.36 111.52 23.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.264 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.28 14.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.95 31.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.89 99.3 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.8 125.89 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 -174.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.93 28.72 72.8 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.22 150.55 21.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.23 -3.6 57.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.4 44.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.37 11.68 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -171.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.05 151.4 21.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.782 0.325 . . . . 0.0 111.229 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.18 125.62 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.63 123.0 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -169.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.14 123.96 51.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.353 . . . . 0.0 111.183 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.5 126.26 41.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.29 121.3 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 139.61 46.63 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.8 -149.66 25.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 77.3 t -113.29 119.88 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -176.179 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' V' V ' 15' ' ' GLN . . . . . 0.582 ' HA ' ' OE1' ' V' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.1 34.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.32 118.49 22.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 75.6 t -127.5 128.79 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.01 32.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.244 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.48 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.2 106.21 14.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.271 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.48 115.84 31.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.174 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.87 99.3 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.79 125.89 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.86 28.72 72.84 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.52 21.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.314 . . . . 0.0 111.205 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.26 -3.41 57.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.2 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.95 158.36 44.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.3 11.64 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.16 151.36 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.19 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 97.3 mt -118.18 125.64 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 170.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 122.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -169.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.74 107.95 0.95 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 34' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' Y' ' 34' ' ' LEU . 39.3 mt -112.08 123.91 51.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.229 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.49 126.23 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 83.3 t -112.24 121.28 64.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.211 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.88 139.6 46.61 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.78 -149.83 26.07 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.18 119.85 61.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 111.254 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -176.218 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' W' W ' 15' ' ' GLN . . . . . 0.597 ' HA ' ' OE1' ' W' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.728 0.299 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.61 123.09 34.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 tp -129.36 118.41 22.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 76.0 t -127.41 128.79 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.31 121.09 32.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.5 23.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 173.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.3 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.52 115.9 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.85 99.3 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.75 125.91 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.258 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.8 72.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.21 150.5 21.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.345 . . . . 0.0 111.172 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.16 -3.63 57.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.206 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.88 158.38 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.28 11.63 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.15 151.39 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.22 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.22 125.54 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 170.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.64 122.98 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.7 107.95 0.95 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 173.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.1 123.88 51.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.748 0.309 . . . . 0.0 111.209 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.42 126.29 42.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -112.33 121.3 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.64 46.61 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 77.2 t -113.26 119.89 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 111.234 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -176.204 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 15' ' ' GLN . . . . . 0.593 ' HA ' ' OE1' ' X' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.48 123.1 35.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.402 HD23 HD13 ' U' ' 17' ' ' LEU . 45.7 tp -129.39 118.49 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 176.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -127.52 128.75 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 120.96 32.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.187 -175.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.32 111.44 23.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.264 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.21 106.26 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.229 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.44 115.91 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.94 99.26 5.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.72 125.93 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.21 -174.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.7 72.84 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.21 150.57 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.207 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.19 -3.57 57.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.88 158.41 44.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.05 -141.37 11.67 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -171.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.05 151.34 21.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 111.24 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.14 125.64 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.68 123.01 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 -169.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.76 107.88 0.95 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 173.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.03 123.93 51.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 111.213 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 64.9 ttp -127.55 126.29 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -112.22 121.31 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.132 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 139.56 46.53 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.66 -149.74 25.96 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.29 119.92 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.201 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -176.228 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Y' Y ' 15' ' ' GLN . . . . . 0.581 ' HA ' ' OE1' ' Y' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.924 0.393 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.13 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 tp -129.46 118.41 22.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.38 128.72 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.237 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 121.0 32.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.6 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.28 106.27 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.47 115.88 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.85 99.27 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.76 125.94 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -174.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 28.74 72.84 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 173.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.11 150.56 21.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.192 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.25 -3.57 57.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.4 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.205 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.03 -141.33 11.65 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -171.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.39 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 111.273 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -118.19 125.63 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 170.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.67 123.07 70.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 107.98 0.95 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 34' ' ' LEU . . . . . 0.418 ' HB2' HD22 ' V' ' 34' ' ' LEU . 38.9 mt -112.11 123.91 51.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.334 . . . . 0.0 111.195 -178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.47 126.2 41.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.2 121.34 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.9 139.5 46.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.75 25.97 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 77.5 t -113.24 119.87 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.23 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.145 -176.172 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Z' Z ' 15' ' ' GLN . . . . . 0.595 ' OE1' ' HA ' ' Z' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.852 0.358 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.57 123.11 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.39 118.44 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.233 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -127.43 128.73 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.05 32.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.219 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.59 24.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.33 106.24 14.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.44 115.86 31.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.228 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.86 99.34 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.209 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.79 125.9 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 -174.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.73 72.86 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.14 150.62 21.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.737 0.303 . . . . 0.0 111.193 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.29 -3.55 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.38 44.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.29 11.64 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -171.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.35 21.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.21 125.68 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 170.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.66 122.97 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.99 0.95 Allowed Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 mt -112.09 123.95 51.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.52 126.15 41.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.224 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.19 121.28 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.81 139.56 46.71 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.7 -149.77 25.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.27 119.93 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.272 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -176.112 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.82 0.343 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.56 123.13 35.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 tp -129.39 118.46 22.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.24 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.47 128.78 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.41 121.04 32.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.37 111.57 24.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.33 106.19 14.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.37 115.94 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.94 99.28 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 93.0 t -128.71 125.92 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.75 72.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 173.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.24 150.61 21.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 111.13 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.27 -3.55 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.166 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.86 158.37 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.36 11.69 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -171.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.14 151.29 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.13 125.62 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.196 170.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.65 122.97 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.74 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.09 123.99 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.185 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.48 126.13 41.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.264 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.2 121.34 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.97 139.57 46.45 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.72 25.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.33 119.88 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.196 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.255 -176.226 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.807 0.337 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.49 126.46 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.209 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.05 131.23 54.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.54 106.92 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.191 175.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.0 19.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -170.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.9 124.78 53.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 175.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.59 17.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.91 26.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.43 110.14 19.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.9 t -121.01 117.9 54.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 -172.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.72 3.15 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 170.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 t -136.92 147.58 46.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.191 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.97 -15.29 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.256 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -131.0 154.55 48.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.68 42.54 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.25 162.52 12.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.173 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.71 113.02 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.55 108.92 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.17 136.01 8.14 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.52 133.65 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 111.261 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.05 176.26 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 172.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -108.66 -61.22 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.175 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.81 25.38 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.29 16.12 65.22 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.26 153.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 111.226 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.213 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.44 126.33 22.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.91 131.22 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.63 106.82 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.22 111.03 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.216 -170.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.92 124.81 53.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.62 17.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.241 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.4 136.84 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.42 110.19 19.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 81.0 t -121.0 117.88 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.257 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.51 62.69 3.16 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.82 147.55 46.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.9 -15.5 58.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.82 154.67 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.67 42.51 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.23 162.64 12.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.345 . . . . 0.0 111.155 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -100.75 113.03 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.55 108.88 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 -173.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.07 8.18 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.441 HD13 HD23 ' E' ' 34' ' ' LEU . 39.6 tp -129.52 133.72 47.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 173.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.17 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -108.69 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.81 25.37 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.37 16.05 65.19 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -79.29 153.43 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.194 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.245 179.166 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.41 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.94 131.16 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -105.55 106.85 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.29 110.98 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 -170.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.96 124.87 53.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.157 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.64 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.88 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.219 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.47 110.25 19.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 83.9 t -121.05 117.98 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 -172.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.45 62.76 3.14 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.82 147.59 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 0.0 111.183 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.08 -15.32 58.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.88 154.63 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.65 42.49 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.68 12.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 0.0 111.229 -177.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.81 113.0 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.52 108.98 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.08 8.18 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.56 133.67 47.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 173.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.22 9.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -108.65 -61.17 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.27 -165.92 25.35 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.42 16.06 65.07 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -79.23 153.37 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 111.275 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 179.183 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.779 0.323 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.48 126.32 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.249 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -107.94 131.31 54.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 68.8 t -105.71 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -116.34 111.05 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 -170.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.93 124.82 53.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.59 17.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.211 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.32 136.86 26.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.247 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.17 19.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 81.6 t -121.03 117.87 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 -172.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.57 62.73 3.13 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 170.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.86 147.54 46.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.749 0.309 . . . . 0.0 111.196 -175.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.04 -15.31 58.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.9 154.63 47.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.248 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.69 161.66 42.54 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.24 162.57 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 111.283 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -100.75 113.09 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.5 108.95 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.183 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.24 135.96 8.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.49 133.69 47.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 111.215 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.15 9.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.241 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.66 -61.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.26 -165.77 25.38 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.26 16.12 65.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.23 153.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 111.222 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.181 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.356 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.38 22.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.232 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.93 131.25 54.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.6 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.34 111.0 19.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 -170.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.89 124.8 53.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.235 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.66 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.38 136.9 26.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.47 110.22 19.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 81.7 t -121.04 117.9 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -172.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.69 3.16 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 170.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.85 147.55 46.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.97 -15.44 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.155 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.85 154.68 47.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.212 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.73 161.66 42.45 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.63 12.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.263 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.69 113.03 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.56 108.89 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.2 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.03 8.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.443 HD13 HD23 ' H' ' 34' ' ' LEU . 39.2 tp -129.48 133.81 47.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.136 173.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.23 176.14 9.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.183 172.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 90.1 t -108.54 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.216 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.78 25.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.26 16.17 65.17 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.31 153.37 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 111.19 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.292 179.094 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.76 0.314 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.44 22.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.97 131.29 54.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -105.58 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.31 110.96 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 -170.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.86 124.86 53.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.202 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.59 16.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.201 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.92 26.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.46 110.1 19.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 82.2 t -120.93 117.97 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -172.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.43 62.76 3.14 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.55 46.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 0.0 111.218 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.31 58.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.9 154.66 47.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.69 42.54 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.58 12.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.749 0.309 . . . . 0.0 111.261 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.68 112.99 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.55 108.96 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 -173.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.46 133.67 47.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 111.2 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.07 176.18 9.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.259 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.65 -61.19 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.25 -165.87 25.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.03 65.27 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.17 153.45 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 111.233 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.212 179.14 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.749 0.309 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.44 126.42 22.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.98 131.22 54.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 69.4 t -105.59 106.77 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 175.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.24 110.93 19.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.86 124.82 53.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.244 175.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.79 125.63 17.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.236 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.41 136.91 26.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.45 110.21 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -121.06 118.02 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.41 62.7 3.17 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 170.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.79 147.59 46.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 111.254 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.38 58.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.8 154.65 47.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.74 161.74 42.51 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.6 12.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.185 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.75 113.04 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 -173.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.29 135.95 8.09 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.5 133.71 47.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 111.209 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.06 176.19 9.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.67 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.22 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.76 25.38 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.34 16.04 65.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.22 153.33 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.203 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.49 126.41 22.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.01 131.31 54.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -105.66 106.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.27 110.99 19.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.93 124.77 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.59 17.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.256 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.36 136.93 26.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.47 110.17 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 82.8 t -120.96 117.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.51 62.69 3.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 170.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.89 147.62 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 111.123 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.09 -15.3 58.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.234 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.87 154.62 47.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.74 42.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.56 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 111.206 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.72 113.08 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.56 108.99 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.95 8.09 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.443 HD23 HD13 ' E' ' 34' ' ' LEU . 39.3 tp -129.48 133.74 47.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 111.183 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.16 176.12 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 172.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 88.6 t -108.6 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.33 -165.79 25.39 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.09 65.2 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.25 153.38 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.322 . . . . 0.0 111.192 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 179.14 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.737 0.303 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.52 126.39 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.24 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.91 131.25 54.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -105.64 106.77 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.19 111.03 19.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.268 -170.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.97 124.84 53.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.64 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.9 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.46 110.14 19.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 82.1 t -120.99 117.88 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.233 -172.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.62 62.73 3.12 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 170.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.92 147.55 46.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 -175.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.01 -15.44 58.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.85 154.67 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.66 161.7 42.63 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.29 162.67 12.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 0.0 111.24 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -100.72 112.96 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.276 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 -173.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.0 8.13 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.45 133.63 47.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 111.263 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.08 176.17 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.257 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.57 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.21 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.79 25.38 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.04 65.23 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.18 153.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 111.206 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.155 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.42 126.4 22.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.238 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.97 131.29 54.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.68 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.19 110.92 19.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.239 -170.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.88 124.83 53.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.228 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.78 125.61 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 174.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.4 136.89 26.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.205 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.46 110.21 19.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 81.3 t -121.02 117.88 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -172.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.82 3.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.9 147.6 46.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.759 0.314 . . . . 0.0 111.223 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.05 -15.37 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.6 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.65 161.74 42.69 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.33 162.54 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.179 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.1 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.56 108.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 -173.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.07 8.17 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.61 133.67 47.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.197 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.23 9.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 172.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -108.66 -61.3 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.35 -165.84 25.39 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.38 16.05 65.16 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -79.22 153.4 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 111.187 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.191 179.163 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.853 0.359 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.35 22.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.91 131.28 54.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.265 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -105.62 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.06 19.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -170.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.99 124.84 53.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.55 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.281 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.28 136.92 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.178 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.44 110.14 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.97 117.88 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 -172.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.8 3.12 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.9 147.61 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 111.182 -175.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.07 -15.38 58.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.61 47.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.64 42.51 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.61 12.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.76 113.06 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.57 108.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 -173.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.05 8.16 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.441 HD23 HD13 ' H' ' 34' ' ' LEU . 39.4 tp -129.55 133.7 47.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.186 173.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.11 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.64 -61.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.251 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.22 -165.82 25.36 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.32 16.08 65.24 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.22 153.39 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.181 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.144 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.783 0.325 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.54 126.41 22.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.224 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 46.2 mt -107.94 131.27 54.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.199 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 68.1 t -105.66 106.94 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.38 110.92 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.205 -170.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.83 124.8 53.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.229 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 125.56 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 174.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.29 136.88 26.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -113.51 110.18 19.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 80.1 t -120.94 117.86 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 -172.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.81 3.11 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.95 147.57 46.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 111.138 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.36 58.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.72 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.233 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.7 42.55 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.36 162.54 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.06 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.53 108.94 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -173.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.04 8.16 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 39.4 tp -129.52 133.72 47.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 111.172 173.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.17 176.17 9.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 172.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.7 -61.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.21 -165.84 25.35 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.28 16.16 65.16 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.28 153.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.137 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.32 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.232 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.91 131.17 54.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -105.59 106.92 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.39 111.08 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -170.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -111.91 124.92 53.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.201 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.89 125.63 16.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 174.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.37 136.92 26.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.53 110.17 19.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 81.2 t -120.96 117.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.55 62.68 3.15 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.84 147.55 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 111.23 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.9 -15.48 58.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.252 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.85 154.6 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.212 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.68 161.7 42.6 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.66 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.138 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.78 113.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.58 108.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.213 -173.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 135.97 8.11 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.49 133.75 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 111.097 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.14 176.25 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.74 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.29 -165.83 25.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.01 65.36 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.21 153.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.212 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.2 -1.548 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.226 179.165 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.777 0.323 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.41 126.35 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.97 131.36 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.6 106.85 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 175.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.31 111.07 19.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -170.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.98 124.88 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.92 125.67 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 173.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.91 26.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.204 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.53 110.25 19.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.207 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 81.4 t -120.99 117.97 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.213 -172.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.71 3.16 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.86 147.51 46.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 -175.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.97 -15.36 58.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.91 154.59 47.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.73 42.72 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 162.61 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -177.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.76 113.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.58 108.86 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -173.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.08 8.18 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.438 HD23 HD13 ' K' ' 34' ' ' LEU . 39.5 tp -129.54 133.63 47.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 173.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.09 176.23 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 172.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.66 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.83 25.36 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.09 65.13 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.25 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.167 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.83 0.348 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.45 126.4 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.9 131.15 54.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -105.51 106.82 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 175.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.26 111.06 19.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.211 -170.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -111.97 124.82 53.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.69 17.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.4 136.85 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.228 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.45 110.15 19.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.192 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.0 117.9 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -172.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.63 3.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 170.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.55 46.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.235 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.98 -15.47 58.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.8 154.63 47.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.267 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.73 42.69 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.63 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.821 0.344 . . . . 0.0 111.199 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.83 113.09 35.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.61 109.05 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.32 135.98 8.11 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.47 133.73 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 0.0 111.196 173.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.16 176.2 9.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -108.64 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.23 -165.91 25.34 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.37 16.18 64.92 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.33 153.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.205 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.502 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 179.179 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.34 22.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.92 131.26 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.25 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.65 106.87 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.37 111.06 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -170.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -111.91 124.82 53.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.224 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.78 125.73 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 173.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.43 136.87 26.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.45 110.21 19.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.04 117.95 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.44 62.78 3.14 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.87 147.57 46.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.4 58.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.202 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.92 154.67 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.65 42.64 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.29 162.63 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.718 0.294 . . . . 0.0 111.218 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.7 113.08 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.56 108.87 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.51 133.69 47.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.196 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.17 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -108.67 -61.11 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.19 -165.85 25.34 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.41 16.09 65.03 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.31 153.35 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.791 0.329 . . . . 0.0 111.183 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--O 1.201 -1.449 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.787 0.327 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.36 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.94 131.24 54.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.276 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -105.55 106.73 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.23 110.91 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 -170.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.86 124.81 53.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.231 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.65 17.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.274 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.41 136.86 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.217 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.14 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 82.7 t -120.93 117.91 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 -172.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.81 3.12 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 170.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.86 147.53 46.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.774 0.321 . . . . 0.0 111.18 -175.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.95 -15.5 58.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.78 154.61 47.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.23 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.62 161.74 42.76 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.61 12.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.321 . . . . 0.0 111.222 -177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.74 113.07 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.202 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.57 108.86 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.239 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.26 135.95 8.1 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . 0.439 HD13 HD23 ' T' ' 34' ' ' LEU . 39.4 tp -129.49 133.73 47.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 173.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.2 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.176 172.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 89.4 t -108.69 -61.03 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.251 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.16 -165.83 25.34 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.34 16.06 65.24 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.29 153.41 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.855 0.359 . . . . 0.0 111.206 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.246 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.38 22.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.95 131.19 54.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.55 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.26 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.26 110.98 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 -170.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.94 124.89 53.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 125.64 17.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 174.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.34 136.85 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.4 110.15 19.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.03 117.95 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.183 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.44 62.73 3.15 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.88 147.59 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.92 -15.46 58.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.193 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.86 154.72 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.85 161.73 42.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.61 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -100.65 113.04 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.55 108.97 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -173.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.21 135.98 8.12 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.49 133.66 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 111.215 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.18 9.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 172.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 89.5 t -108.65 -61.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.32 -165.8 25.39 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.31 16.08 65.25 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.24 153.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 111.107 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.201 -1.454 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.238 179.075 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.44 22.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 17' ' ' LEU . . . . . . . . . . . . . 46.1 mt -108.02 131.2 54.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.58 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.32 110.99 19.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -170.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.93 124.78 53.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.227 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.77 125.7 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 173.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.89 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.41 110.07 19.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 81.9 t -120.92 117.86 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.249 -172.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.73 3.14 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 170.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 39.6 t -136.84 147.58 46.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.147 -175.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.39 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.6 47.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.212 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.59 161.65 42.73 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.63 12.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.76 113.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 175.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.01 8.13 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.47 133.7 47.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 111.198 173.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.25 9.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.68 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.86 25.35 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.14 65.03 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.28 153.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.199 -1.581 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.211 179.111 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.57 126.41 22.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.99 131.35 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.67 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.26 111.05 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 -170.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -111.96 124.82 53.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.271 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.81 125.61 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.21 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.36 136.89 26.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.15 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 82.5 t -121.01 117.89 54.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -172.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.47 62.71 3.16 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.79 147.66 46.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.1 -15.37 58.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.84 154.63 47.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.71 42.56 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.55 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 0.0 111.153 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 82.1 mt -100.74 113.08 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.186 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.52 108.94 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.212 -173.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.26 135.98 8.11 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 34' ' ' LEU . . . . . 0.445 HD13 HD23 ' W' ' 34' ' ' LEU . 39.2 tp -129.56 133.69 47.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 0.0 111.181 173.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.05 176.23 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 172.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.65 -61.21 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.246 174.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.86 25.36 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.35 16.22 64.87 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.31 153.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 111.155 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 179.124 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.849 0.357 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.42 22.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.04 131.26 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 67.5 t -105.59 106.79 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.206 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.23 111.02 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 -170.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.97 124.85 53.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.6 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 174.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.33 136.83 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.39 110.11 19.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.243 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 82.3 t -120.95 117.92 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.4 62.81 3.13 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.89 147.6 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.733 0.301 . . . . 0.0 111.199 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.97 -15.43 58.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.86 154.69 47.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.71 42.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 162.65 12.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.75 0.309 . . . . 0.0 111.187 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -100.75 113.0 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.263 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.46 108.94 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.245 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.31 136.01 8.12 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.49 133.69 47.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.321 . . . . 0.0 111.218 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.15 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.209 172.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.59 -61.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.249 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.27 -165.81 25.37 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.32 16.12 65.14 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -79.26 153.38 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.2 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 179.174 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.4 22.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.94 131.24 54.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 68.2 t -105.61 106.81 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.21 111.05 19.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.238 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -112.01 124.85 53.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.247 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.81 125.61 17.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.223 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.35 136.92 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.48 110.15 19.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -120.94 117.91 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.206 -172.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.63 3.18 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 170.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.8 147.62 46.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 111.2 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.02 -15.34 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.91 154.67 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.7 42.54 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.55 12.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.74 113.07 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.52 108.9 25.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 -173.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.29 135.96 8.1 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.43 133.68 47.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.209 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.08 176.17 9.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.61 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.83 25.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.04 65.22 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.25 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 0.0 111.187 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.135 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.841 0.353 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.41 126.39 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 mt -107.99 131.24 54.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.66 106.91 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.02 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.96 124.79 53.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.66 17.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.35 136.92 26.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -113.48 110.12 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.25 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 82.3 t -120.96 117.93 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -172.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.79 3.13 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.82 147.58 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 111.185 -175.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.06 -15.39 58.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.88 154.61 47.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.72 161.73 42.56 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.24 162.62 12.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 111.194 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.82 113.04 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.54 108.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 34' ' ' LEU . . . . . 0.449 HD13 HD23 ' Z' ' 34' ' ' LEU . 39.4 tp -129.48 133.73 47.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.768 0.318 . . . . 0.0 111.186 173.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.18 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 172.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.65 -61.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.26 -165.84 25.36 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.43 16.04 65.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.25 153.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 111.188 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.201 -1.452 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.329 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.43 126.34 22.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.257 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.93 131.18 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.195 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -105.57 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.207 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.27 111.05 19.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -111.96 124.82 53.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.242 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.62 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.32 136.85 26.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.41 110.16 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.238 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -121.0 117.95 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -172.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.55 62.69 3.15 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 170.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.84 147.61 46.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 111.24 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.39 58.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.23 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.89 154.62 47.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.67 161.71 42.62 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.6 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.233 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.7 113.03 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.246 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.54 108.92 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.22 136.05 8.16 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.56 133.69 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.204 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.15 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 172.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.65 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.29 -165.82 25.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.3 16.17 65.08 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.28 153.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.201 -1.465 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 179.069 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.804 0.335 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.42 126.36 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.95 131.23 54.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.56 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 175.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.28 111.02 19.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -112.01 124.84 53.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 175.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.62 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 173.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.38 136.98 26.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.6 110.17 19.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 82.7 t -121.01 117.97 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -172.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.39 62.73 3.16 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.84 147.59 46.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 111.214 -175.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.39 58.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.61 47.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.66 161.69 42.64 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.58 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.73 113.01 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.245 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.55 108.99 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -173.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 136.05 8.16 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.52 133.74 47.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.741 0.305 . . . . 0.0 111.252 173.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.19 9.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.6 -61.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.195 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.8 25.38 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.27 16.16 65.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.32 153.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.202 -1.442 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.182 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.332 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.52 126.41 22.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.97 131.2 54.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -105.57 106.78 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.265 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.24 111.02 19.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -170.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.95 124.88 53.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.6 17.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.43 136.89 26.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.45 110.25 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.2 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 80.7 t -121.01 117.94 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.29 -172.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.74 3.14 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.64 46.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.04 -15.36 58.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.201 175.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.9 154.69 47.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.222 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.75 161.76 42.52 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.33 162.59 12.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.246 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.06 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.57 108.89 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.16 136.01 8.14 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 34' ' ' LEU . . . . . 0.449 HD23 HD13 ' W' ' 34' ' ' LEU . 39.3 tp -129.53 133.68 47.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 173.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.09 176.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.204 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -108.68 -61.19 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.78 25.39 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.25 16.18 65.17 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.27 153.45 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.37 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.272 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.02 131.29 54.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.63 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.22 111.01 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -170.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -111.96 124.79 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.67 125.63 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.247 173.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.4 136.89 26.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.48 110.22 19.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 81.3 t -120.98 117.96 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.222 -172.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.76 3.14 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 170.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.87 147.6 46.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.07 -15.33 58.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.61 47.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.6 161.7 42.75 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.22 162.6 12.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.265 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 82.2 mt -100.75 113.05 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.55 108.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.205 -173.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 136.0 8.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -129.52 133.75 47.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 111.156 173.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.14 176.2 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 172.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 89.6 t -108.66 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.21 -165.79 25.36 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.1 65.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.23 153.41 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 0.0 111.16 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.104 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.787 0.327 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.68 115.02 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' O ' ' HA ' ' Y' ' 21' ' ' ALA . . . -142.85 130.35 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.8 143.56 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.47 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -128.14 126.41 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.13 2.81 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.38 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 111.2 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.0 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.226 166.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.85 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.39 38.67 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.79 14.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.213 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.61 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 172.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.81 119.58 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -174.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.53 3.84 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD23 HD13 ' Y' ' 34' ' ' LEU . 41.7 tp -131.33 119.87 22.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 111.256 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.57 36.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.37 127.13 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.61 125.34 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.336 . . . . 0.0 111.169 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.199 -1.563 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 177.357 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.767 0.318 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.63 111.5 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.563 HD23 ' C ' ' B' ' 17' ' ' LEU . 6.5 tt -110.36 104.44 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -116.48 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.52 117.05 33.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.63 114.97 22.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.255 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' E' ' 21' ' ' ALA . . . -142.84 130.34 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.228 175.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.76 143.51 29.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.24 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.86 112.52 14.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.207 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.3 t -128.17 126.41 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.37 62.09 2.82 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.11 -177.32 5.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.19 -51.04 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 166.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.83 158.81 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 174.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.89 -164.35 38.66 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 172.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.71 162.84 14.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.206 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.16 114.51 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.79 119.68 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -174.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 117.56 3.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.7 tp -131.4 119.87 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.203 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.21 124.64 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.45 127.09 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.5 0.49 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.62 125.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 111.195 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 177.371 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.59 111.49 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.558 ' C ' HD23 ' C' ' 17' ' ' LEU . 6.5 tt -110.35 104.44 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -116.5 101.62 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.48 117.09 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.7 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' F' ' 21' ' ' ALA . . . -142.87 130.31 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 175.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.74 143.55 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.85 112.52 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.24 126.45 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.4 62.09 2.81 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.37 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 111.152 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.06 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 166.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.8 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.37 38.65 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.66 162.78 14.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 111.199 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.17 114.55 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 172.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.79 119.59 58.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 172.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.459 HD13 HD23 ' F' ' 34' ' ' LEU . 41.5 tp -131.38 119.89 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.225 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.55 36.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.33 127.04 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.235 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.26 150.42 6.12 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.47 0.5 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.4 t -128.58 125.37 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.208 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 177.319 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.818 0.342 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.57 111.45 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.562 HD23 ' C ' ' D' ' 17' ' ' LEU . 6.5 tt -110.35 104.49 13.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.51 101.72 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.6 117.03 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.59 114.99 22.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' G' ' 21' ' ' ALA . . . -142.87 130.35 21.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.78 143.56 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.94 112.5 14.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.2 126.5 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -172.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.22 62.19 2.82 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.15 -177.38 5.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.07 -51.08 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.212 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.78 158.86 15.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.03 -164.37 38.54 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 172.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.8 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.13 114.55 46.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 172.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.78 119.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 117.6 3.86 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 172.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.463 HD13 HD23 ' G' ' 34' ' ' LEU . 41.5 tp -131.34 119.83 22.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.308 . . . . 0.0 111.222 -176.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.0 ttm -128.23 124.62 37.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.06 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.5 0.49 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.6 125.31 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.24 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 177.377 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.838 0.351 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.61 111.45 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.564 ' C ' HD23 ' E' ' 17' ' ' LEU . 6.5 tt -110.34 104.47 13.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.5 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.203 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.67 114.98 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 21' ' ' ALA . . . -142.84 130.39 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.57 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.9 112.5 14.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.16 126.48 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -172.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.08 -177.35 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.202 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.09 -51.09 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 166.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.81 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.31 38.62 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.7 162.81 14.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.188 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.53 45.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 172.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.74 119.65 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -173.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.61 3.86 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.401 HD13 HD23 ' H' ' 34' ' ' LEU . 41.5 tp -131.39 119.86 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 -176.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.2 124.61 37.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.1 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.37 6.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.66 125.33 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 111.18 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.199 -1.587 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 177.349 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.63 111.43 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.557 ' C ' HD23 ' F' ' 17' ' ' LEU . 6.5 tt -110.31 104.42 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.221 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.44 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.54 117.11 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.7 114.96 22.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' C' ' 21' ' ' ALA . . . -142.84 130.38 21.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.81 143.59 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.96 112.5 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' I' ' 24' ' ' VAL . 97.8 t -128.17 126.43 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -172.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.13 2.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.39 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.203 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.06 -51.07 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 166.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.84 15.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.36 38.63 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 172.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.71 162.84 14.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.228 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.21 114.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.75 119.62 58.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -174.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 172.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.463 HD13 HD23 ' I' ' 34' ' ' LEU . 41.7 tp -131.36 119.83 22.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.211 -176.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.66 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.217 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.35 127.05 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.252 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.18 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.72 51.52 0.49 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 97.0 t -128.65 125.27 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.228 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 177.327 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.807 0.336 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.55 111.42 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.226 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.564 ' C ' HD23 ' G' ' 17' ' ' LEU . 6.5 tt -110.3 104.43 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 66.3 t -116.46 101.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.225 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.48 117.06 33.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.69 115.02 22.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' D' ' 21' ' ' ALA . . . -142.84 130.34 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.78 143.53 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.85 112.51 14.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.23 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 -172.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.08 2.83 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.07 -177.3 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 0.0 111.219 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.11 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 166.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.73 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.36 38.6 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.63 162.81 14.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.54 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.212 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.75 119.6 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.3 117.61 3.86 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 172.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' D' ' 34' ' ' LEU . 41.6 tp -131.33 119.88 22.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.775 0.322 . . . . 0.0 111.218 -176.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.61 37.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.41 127.1 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.23 150.39 6.11 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.62 51.47 0.5 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -128.59 125.33 63.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 111.166 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.199 -1.574 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 177.311 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.49 4.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.562 ' C ' HD23 ' H' ' 17' ' ' LEU . 6.5 tt -110.34 104.45 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.46 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.55 117.0 32.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.63 115.04 22.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' K' ' 21' ' ' ALA . . . -142.89 130.41 21.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 175.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.86 143.55 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.88 112.47 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.205 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 97.8 t -128.14 126.45 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.228 -172.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.27 62.19 2.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.16 -177.38 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.11 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 166.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.222 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.96 -164.34 38.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.82 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 111.235 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.18 114.57 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.22 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.72 119.58 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -173.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.59 3.86 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.403 HD13 HD23 ' K' ' 34' ' ' LEU . 41.7 tp -131.37 119.9 22.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 111.216 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.26 124.61 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.4 127.07 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.24 150.34 6.1 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.6 125.32 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.813 0.339 . . . . 0.0 111.258 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 177.382 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.79 0.328 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.61 111.45 4.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.561 HD23 ' C ' ' I' ' 17' ' ' LEU . 6.5 tt -110.32 104.44 13.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.5 101.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.57 117.01 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.65 114.98 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.168 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' F' ' 21' ' ' ALA . . . -142.81 130.34 21.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.57 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.9 112.53 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' F' ' 24' ' ' VAL . 97.8 t -128.23 126.46 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.29 62.16 2.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.16 -177.36 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.15 -50.99 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 166.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.84 15.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.36 38.62 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.325 . . . . 0.0 111.224 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.58 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.75 119.6 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.247 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.6 3.86 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' F' ' 34' ' ' LEU . 41.7 tp -131.36 119.89 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.229 -176.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.64 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -132.45 127.09 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.38 6.11 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.59 51.53 0.5 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -128.64 125.39 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 177.373 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.5 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.556 ' C ' HD23 ' J' ' 17' ' ' LEU . 6.5 tt -110.3 104.39 13.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.48 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.5 117.06 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -120.68 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' M' ' 21' ' ' ALA . . . -142.86 130.39 21.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 175.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -145.86 143.57 29.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.92 112.51 14.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 96.8 t -128.2 126.48 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 -172.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.28 62.14 2.82 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.4 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.181 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.03 -51.1 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 166.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.75 158.82 15.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.98 -164.33 38.57 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.78 14.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 111.204 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.18 114.54 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.209 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.73 119.57 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.209 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.22 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.46 HD23 HD13 ' G' ' 34' ' ' LEU . 41.5 tp -131.36 119.9 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.212 -176.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.63 37.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.41 127.05 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.25 150.34 6.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.53 0.49 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.6 125.35 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 111.205 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.229 177.328 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.821 0.343 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.64 111.47 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.564 ' C ' HD23 ' K' ' 17' ' ' LEU . 6.5 tt -110.35 104.5 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.53 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.56 117.06 33.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -120.68 115.06 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' H' ' 21' ' ' ALA . . . -142.92 130.37 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.54 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.92 112.54 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.191 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -128.24 126.44 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.32 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.198 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.08 -51.11 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 166.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.222 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.95 -164.37 38.62 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 172.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.8 14.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 111.184 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.2 114.54 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.72 119.59 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 172.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.403 HD23 HD13 ' H' ' 34' ' ' LEU . 41.5 tp -131.39 119.91 22.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.352 . . . . 0.0 111.209 -176.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.6 37.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.224 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.4 127.04 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.24 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.41 0.49 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 96.8 t -128.55 125.33 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 111.243 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 177.361 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.35 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.48 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.215 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.564 ' C ' HD23 ' L' ' 17' ' ' LEU . 6.5 tt -110.31 104.46 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.5 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.54 117.04 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.68 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' I' ' 21' ' ' ALA . . . -142.87 130.38 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.86 143.54 29.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.48 14.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' I' ' 24' ' ' VAL . 95.7 t -128.17 126.4 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.219 -172.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.3 62.18 2.81 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.35 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 111.207 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.07 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 166.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.74 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.95 -164.39 38.62 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 172.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.86 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 111.195 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -117.23 114.55 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.71 119.57 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.53 3.84 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' I' ' 34' ' ' LEU . 41.6 tp -131.3 119.9 22.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.216 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.62 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.4 127.07 56.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.68 51.48 0.49 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.6 125.3 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 177.372 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.54 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.544 ' C ' HD23 ' M' ' 17' ' ' LEU . 6.5 tt -110.35 104.39 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.46 101.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.47 117.0 32.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.249 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.61 114.99 22.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -142.86 130.36 21.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 175.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.53 29.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.86 112.5 14.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.16 126.42 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -172.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.15 2.81 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.13 -177.41 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 111.249 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.05 -51.08 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.8 158.88 15.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.177 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.01 -164.29 38.52 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 172.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.74 162.81 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 111.2 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.19 114.52 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 172.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.76 119.65 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.463 HD13 HD23 ' P' ' 34' ' ' LEU . 41.6 tp -131.4 119.85 22.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -176.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.22 124.66 37.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.44 127.06 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.32 6.08 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.73 51.46 0.49 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.59 125.33 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.19 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 177.322 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.832 0.348 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.66 111.47 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.556 HD23 ' C ' ' N' ' 17' ' ' LEU . 6.5 tt -110.32 104.45 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.23 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.45 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.53 116.99 32.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.246 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -120.6 115.03 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' K' ' 21' ' ' ALA . . . -142.9 130.35 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 175.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.51 29.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.89 112.5 14.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.16 126.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.29 62.1 2.83 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.36 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 111.201 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.14 -51.12 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.73 158.87 15.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.0 -164.41 38.59 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.61 162.82 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 111.223 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.19 114.53 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.76 119.64 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.6 3.85 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 172.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.403 HD23 HD13 ' K' ' 34' ' ' LEU . 41.6 tp -131.39 119.9 22.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.195 -176.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.3 124.64 37.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.37 127.11 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.217 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.17 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.57 125.32 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 177.293 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.774 0.321 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.47 4.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.557 ' C ' HD23 ' O' ' 17' ' ' LEU . 6.5 tt -110.33 104.48 13.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.5 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.51 117.05 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.63 115.0 22.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' L' ' 21' ' ' ALA . . . -142.87 130.36 21.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.79 143.49 29.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.83 112.55 14.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 97.8 t -128.21 126.44 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 -172.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.28 62.17 2.81 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -144.15 -177.32 5.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.153 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.12 -51.09 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 166.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.73 158.86 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 174.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.38 38.6 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.82 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 111.204 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.74 119.58 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -174.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.24 117.54 3.84 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.462 HD23 HD13 ' L' ' 34' ' ' LEU . 41.5 tp -131.37 119.89 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.34 . . . . 0.0 111.201 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.22 124.64 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.37 127.08 56.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.235 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.54 0.49 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.62 125.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 111.196 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 177.335 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.806 0.336 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.53 111.49 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.553 HD23 ' C ' ' P' ' 17' ' ' LEU . 6.5 tt -110.31 104.41 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.43 101.69 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 176.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.56 117.07 33.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.65 115.0 22.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' S' ' 21' ' ' ALA . . . -142.85 130.41 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.57 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.237 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.89 112.51 14.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 95.6 t -128.19 126.47 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.19 2.8 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.19 -177.39 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.173 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.09 -51.03 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 166.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.02 -164.34 38.54 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.78 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.17 114.55 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 172.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.77 119.57 58.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.262 -174.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.23 117.61 3.87 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.464 HD13 HD23 ' S' ' 34' ' ' LEU . 41.4 tp -131.37 119.88 22.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 111.197 -176.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.23 124.61 37.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.34 127.11 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.18 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.62 51.5 0.49 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.6 125.36 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.201 -1.498 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 177.339 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.65 111.51 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . 0.544 ' C ' HD23 ' Q' ' 17' ' ' LEU . 6.5 tt -110.31 104.47 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -116.5 101.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.47 117.05 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.66 115.02 22.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' N' ' 21' ' ' ALA . . . -142.87 130.38 21.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.214 175.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.55 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.88 112.51 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.19 126.47 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.25 62.12 2.83 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.08 -177.4 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.324 . . . . 0.0 111.23 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.04 -51.09 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 166.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.76 158.83 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.33 38.58 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.82 14.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 111.235 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.21 114.52 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.72 119.6 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -173.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . 0.401 HD23 HD13 ' N' ' 34' ' ' LEU . 41.5 tp -131.41 119.89 22.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.207 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.28 124.64 37.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.38 127.06 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.73 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -174.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.63 125.35 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.195 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.232 177.356 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.787 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.57 111.47 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . 0.546 ' C ' HD23 ' R' ' 17' ' ' LEU . 6.5 tt -110.36 104.49 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.51 101.64 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.52 117.09 33.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.67 114.99 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -142.86 130.41 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 175.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.81 143.59 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.92 112.48 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.218 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.16 126.43 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -172.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.3 62.11 2.82 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.08 -177.33 5.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.181 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.17 -51.0 3.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.213 166.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.82 158.77 15.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.38 38.65 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 172.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.63 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.798 0.333 . . . . 0.0 111.178 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.18 114.52 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 172.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.7 119.62 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 172.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.458 HD23 HD13 ' O' ' 34' ' ' LEU . 41.6 tp -131.35 119.82 22.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.232 -176.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.63 37.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.224 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.42 127.08 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.31 6.08 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.5 0.49 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.57 125.33 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 111.199 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 177.331 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.64 111.48 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 0.56 HD23 ' C ' ' S' ' 17' ' ' LEU . 6.5 tt -110.37 104.47 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -116.52 101.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.48 117.03 32.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.64 115.01 22.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.217 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' P' ' 21' ' ' ALA . . . -142.89 130.38 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 175.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.56 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.236 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.55 14.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.18 126.43 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -172.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.35 62.11 2.81 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.37 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.309 . . . . 0.0 111.219 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -104.13 -51.08 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 166.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.72 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.33 38.6 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.81 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.17 114.56 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 172.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.76 119.58 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -173.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.465 HD13 HD23 ' V' ' 34' ' ' LEU . 41.6 tp -131.35 119.83 22.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 0.0 111.214 -176.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.23 124.69 37.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.45 127.1 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.23 150.36 6.1 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.45 0.49 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -174.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -128.54 125.3 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.264 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 177.37 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.327 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.62 111.45 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 17' ' ' LEU . . . . . 0.545 ' C ' HD23 ' T' ' 17' ' ' LEU . 6.5 tt -110.34 104.46 13.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.47 101.61 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.48 117.08 33.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.208 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -120.67 114.95 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' Q' ' 21' ' ' ALA . . . -142.86 130.34 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -145.79 143.53 29.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.87 112.54 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.19 126.45 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.34 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.1 -177.36 5.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.328 . . . . 0.0 111.19 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.14 -51.04 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 166.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.84 15.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.93 -164.36 38.63 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.81 14.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 111.211 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 172.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.77 119.6 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.27 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 41.7 tp -131.35 119.85 22.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 111.236 -176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.17 124.62 37.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.4 127.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.193 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.58 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.66 125.29 63.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 177.341 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.57 111.48 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.246 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 17' ' ' LEU . . . . . 0.555 HD23 ' C ' ' U' ' 17' ' ' LEU . 6.5 tt -110.28 104.45 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.54 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.66 115.01 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 21' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' R' ' 21' ' ' ALA . . . -142.85 130.37 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 175.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.82 143.52 29.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.9 112.52 14.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 97.4 t -128.16 126.44 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.09 2.82 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.1 -177.37 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.205 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.05 -51.06 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 166.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.81 158.8 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.31 38.61 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 172.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.7 162.81 14.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.18 114.5 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.268 172.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.71 119.62 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.3 117.55 3.84 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 34' ' ' LEU . . . . . 0.453 HD23 HD13 ' R' ' 34' ' ' LEU . 41.7 tp -131.36 119.88 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 111.221 -176.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.58 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.38 127.11 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.3 6.08 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.6 125.34 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 111.199 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 177.355 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.333 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.61 111.43 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 17' ' ' LEU . . . . . 0.563 ' C ' HD23 ' V' ' 17' ' ' LEU . 6.5 tt -110.3 104.45 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.47 101.7 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.65 115.0 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 21' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' S' ' 21' ' ' ALA . . . -142.87 130.34 21.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 175.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.55 29.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.48 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.235 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.15 126.47 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -172.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.22 62.18 2.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.11 -177.37 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.212 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.03 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 166.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.86 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.98 -164.38 38.6 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.84 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.182 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.19 114.52 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.74 119.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 34' ' ' LEU . . . . . 0.465 HD23 HD13 ' S' ' 34' ' ' LEU . 41.7 tp -131.31 119.88 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 111.235 -176.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.66 37.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.12 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.16 150.3 6.08 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.69 51.51 0.49 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.61 125.31 63.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 111.208 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 177.36 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.67 111.53 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 17' ' ' LEU . . . . . 0.549 ' C ' HD23 ' W' ' 17' ' ' LEU . 6.5 tt -110.42 104.45 13.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.42 101.64 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.207 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.5 117.05 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.65 114.99 22.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 21' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' T' ' 21' ' ' ALA . . . -142.88 130.38 21.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.56 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.87 112.44 14.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.15 126.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.11 2.82 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.41 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 111.21 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.06 -51.11 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 166.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.79 15.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 174.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.37 38.65 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 172.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.76 14.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.322 . . . . 0.0 111.209 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.12 114.54 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.73 119.61 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 -174.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.56 3.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 tp -131.34 119.84 22.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.765 0.317 . . . . 0.0 111.212 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.61 37.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.45 127.1 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.7 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.6 125.31 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.182 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 177.307 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.792 0.33 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.55 111.47 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.558 ' C ' HD23 ' X' ' 17' ' ' LEU . 6.5 tt -110.32 104.48 13.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.217 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.49 101.59 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.48 117.03 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.222 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.63 114.99 22.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' ALA . . . -142.85 130.41 21.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 175.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.87 143.53 29.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.9 112.53 14.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.23 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -172.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.18 2.8 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.15 -177.33 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.347 . . . . 0.0 111.185 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.16 -51.02 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.233 166.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.81 15.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.96 -164.37 38.61 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.82 14.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 111.181 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.2 114.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.74 119.56 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.24 117.55 3.85 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 172.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 34' ' ' LEU . . . . . 0.449 HD13 HD23 ' A' ' 34' ' ' LEU . 41.5 tp -131.34 119.94 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.202 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.31 124.6 36.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 99.5 t -132.34 127.09 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.49 0.49 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.62 125.33 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 111.198 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 177.352 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.6 111.51 4.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 17' ' ' LEU . . . . . 0.56 ' C ' HD23 ' Y' ' 17' ' ' LEU . 6.5 tt -110.34 104.49 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.51 101.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.51 117.07 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.71 114.96 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 21' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' V' ' 21' ' ' ALA . . . -142.82 130.4 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.54 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.5 14.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 173.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.2 126.44 66.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 -172.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.15 2.81 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.34 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.183 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.12 -51.11 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 166.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.76 158.84 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 174.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.02 -164.33 38.54 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.82 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 111.174 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 172.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.75 119.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -174.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.58 3.85 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' V' ' 34' ' ' LEU . 41.8 tp -131.38 119.82 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 111.222 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.64 37.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.41 127.08 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.25 150.34 6.1 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.46 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.61 125.33 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.184 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 177.369 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.819 0.343 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.49 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 17' ' ' LEU . . . . . 0.559 HD23 ' C ' ' Z' ' 17' ' ' LEU . 6.5 tt -110.37 104.43 13.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.43 101.62 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.47 117.08 33.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.66 114.98 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 21' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' W' ' 21' ' ' ALA . . . -142.89 130.39 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 175.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.82 143.59 29.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.93 112.5 14.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 97.1 t -128.17 126.48 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.23 62.14 2.83 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.37 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.222 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.07 -51.1 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 166.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.74 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.194 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.37 38.63 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.77 14.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.195 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.12 114.6 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.8 119.64 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.62 3.86 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 41.4 tp -131.41 119.89 22.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 111.217 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.66 37.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 98.7 t -132.42 127.07 56.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.213 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.26 150.39 6.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.68 51.45 0.49 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.6 125.34 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 111.182 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 177.332 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.46 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.214 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -110.28 104.48 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.49 101.66 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.54 117.07 33.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.64 115.0 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.86 130.36 21.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.51 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.5 14.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.244 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.19 126.43 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.192 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.14 2.81 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.34 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.175 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.08 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 166.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.8 15.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.87 -164.36 38.69 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 172.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.72 162.82 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.19 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.56 46.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 172.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.76 119.62 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.59 3.85 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 172.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.4 119.88 22.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 111.154 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.63 37.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.4 127.05 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.53 125.33 63.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.317 . . . . 0.0 111.213 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 177.321 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.808 0.337 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.58 110.99 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.67 108.35 18.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.242 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.34 113.45 25.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -174.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.9 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.28 122.52 68.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.41 -22.31 38.06 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.691 ' O ' ' HA ' ' X' ' 26' ' ' SER . 30.7 t -56.65 144.93 30.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.338 . . . . 0.0 111.205 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.52 ' HA ' ' HA ' ' Y' ' 26' ' ' SER . 85.6 m-20 -102.08 -2.25 29.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 174.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.277 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' Y' ' 29' ' ' GLY . . . -92.55 -161.35 36.42 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -172.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.44 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.166 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.1 119.89 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.26 130.74 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' Y' ' 33' ' ' GLY . . . -143.01 123.37 2.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD12 HD22 ' X' ' 34' ' ' LEU . 59.4 mt -120.22 141.07 50.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 111.196 -175.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.48 11.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 175.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.88 111.63 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.17 -4.51 48.62 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.65 -128.68 10.48 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.39 -51.92 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.214 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.199 -1.566 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 -175.57 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.809 0.338 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.43 138.95 57.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.261 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.44 136.37 53.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.188 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.68 115.5 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.71 112.05 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.244 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.46 110.98 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.25 18.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.187 175.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.21 113.54 25.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -174.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.98 96.19 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.16 122.53 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.32 37.97 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' E' ' 26' ' ' SER . 30.7 t -56.68 145.02 30.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.186 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.15 -2.18 29.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.42 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 -176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.57 -161.31 36.38 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -172.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.12 149.49 28.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 111.113 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.07 119.86 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 176.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.21 130.8 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.34 2.09 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 175.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.23 141.08 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.183 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.27 106.59 11.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.1 t -105.93 111.64 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.54 48.88 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.65 10.39 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.45 -51.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.199 -1.586 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.207 -175.606 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.11 57.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' F' ' 17' ' ' LEU . 59.7 mt -116.53 136.32 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.68 115.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.77 112.07 20.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.224 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 111.03 13.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.66 108.35 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.31 113.54 25.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.01 96.34 5.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.28 122.46 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.52 -22.38 37.65 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.69 ' HA ' ' O ' ' F' ' 26' ' ' SER . 30.6 t -56.67 145.02 30.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.237 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.15 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 174.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.67 176.4 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.59 -161.33 36.38 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -172.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.43 28.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 111.226 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.03 119.9 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.175 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.28 130.69 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.95 123.46 2.13 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.619 HD22 HD12 ' F' ' 34' ' ' LEU . 59.2 mt -120.28 141.11 50.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.49 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -105.86 111.63 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.48 48.72 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 -128.63 10.51 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.45 -51.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.21 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -175.55 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.57 139.08 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' G' ' 17' ' ' LEU . 59.5 mt -116.46 136.39 53.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.28 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -112.62 115.51 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.74 112.03 20.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.55 111.06 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.72 108.28 18.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.28 113.49 25.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.36 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 95.6 t -120.3 122.48 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.52 -22.4 37.62 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' G' ' 26' ' ' SER . 30.6 t -56.62 145.01 29.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.22 29.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.241 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.464 ' O ' ' HA3' ' G' ' 29' ' ' GLY . . . -92.63 -161.34 36.36 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -172.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.49 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.208 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.08 119.89 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.29 130.74 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.545 ' O ' ' HA2' ' G' ' 33' ' ' GLY . . . -143.02 123.45 2.12 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.24 141.07 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 0.0 111.224 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.34 106.53 11.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -105.92 111.61 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.16 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.47 48.63 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 -128.66 10.49 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.42 -51.97 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.199 -1.558 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 -175.604 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.729 0.299 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.45 139.1 57.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.51 136.35 53.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.247 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 88.9 t -112.68 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.78 112.04 20.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.51 111.0 13.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.262 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.32 18.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.28 113.51 25.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.95 96.26 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.27 122.5 68.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -175.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.32 37.97 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' B' ' 26' ' ' SER . 30.6 t -56.63 144.92 30.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 111.223 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.1 -2.19 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.62 176.43 5.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.62 -161.31 36.35 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -172.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.4 28.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.822 0.344 . . . . 0.0 111.214 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -123.06 119.84 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.3 130.7 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.19 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.4 2.12 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 58.5 mt -120.24 141.11 50.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 111.265 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.37 106.5 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t -105.85 111.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.238 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.5 48.8 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.59 -128.68 10.54 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.4 -51.93 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.36 . . . . 0.0 111.203 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -175.597 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.753 0.311 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.11 57.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.244 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' I' ' 17' ' ' LEU . 59.4 mt -116.45 136.37 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.188 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -112.65 115.48 49.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.63 112.08 20.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.254 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.01 13.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.29 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.18 113.53 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.267 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.93 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.37 122.51 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.53 -22.38 37.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.69 ' O ' ' HA ' ' C' ' 26' ' ' SER . 30.6 t -56.6 144.96 29.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.11 -2.22 29.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.74 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.164 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.6 -161.32 36.36 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -172.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.09 149.41 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.204 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.08 119.88 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.24 130.72 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' I' ' 33' ' ' GLY . . . -142.98 123.48 2.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 175.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.619 HD12 HD22 ' C' ' 34' ' ' LEU . 58.9 mt -120.24 141.04 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 111.259 -175.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.5 11.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -105.91 111.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.187 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.22 -4.47 48.41 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.68 10.47 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.46 -51.9 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 0.0 111.265 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -175.629 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.807 0.337 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.54 139.19 57.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.535 ' HB2' HD22 ' D' ' 17' ' ' LEU . 60.1 mt -116.56 136.34 53.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -112.64 115.53 50.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -116.66 112.07 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.176 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.58 111.09 13.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.21 18.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.12 113.49 25.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 -174.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.0 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.29 122.5 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.3 38.05 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' J' ' 26' ' ' SER . 30.6 t -56.69 145.03 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 111.254 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' D' ' 26' ' ' SER . 85.6 m-20 -102.17 -2.2 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 174.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.68 176.43 5.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.467 ' O ' ' HA3' ' J' ' 29' ' ' GLY . . . -92.57 -161.3 36.37 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -172.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.41 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.12 119.91 59.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.22 130.72 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' D' ' 33' ' ' GLY . . . -142.94 123.36 2.1 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.17 141.14 50.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.764 0.316 . . . . 0.0 111.238 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.44 11.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.92 111.73 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.54 48.77 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.69 -128.65 10.43 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.44 -51.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.357 . . . . 0.0 111.172 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.773 0.321 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.09 57.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -116.5 136.3 53.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.161 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.67 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.68 112.12 20.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 110.97 13.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.26 18.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.228 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.14 113.47 25.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.236 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.99 96.38 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.34 122.49 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 -22.27 38.17 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' K' ' 26' ' ' SER . 30.7 t -56.72 145.01 30.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 111.174 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.16 -2.18 29.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.37 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.53 -161.28 36.38 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -172.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.42 28.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.192 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.05 119.84 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.22 130.81 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.0 123.3 2.09 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.17 141.11 50.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.328 . . . . 0.0 111.221 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.44 11.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.28 175.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.81 111.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.05 -4.5 49.07 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.74 10.47 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.38 -51.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.743 0.306 . . . . 0.0 111.199 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -175.522 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.784 0.326 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.54 139.12 57.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.544 HD22 ' HB2' ' L' ' 17' ' ' LEU . 59.4 mt -116.51 136.34 53.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.66 115.48 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.218 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.62 112.06 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.269 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.49 111.01 13.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.21 18.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.48 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -174.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.87 96.34 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.41 122.53 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.4 -22.29 38.13 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . 0.691 ' HA ' ' O ' ' L' ' 26' ' ' SER . 30.7 t -56.7 145.02 30.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 111.225 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.15 29.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.204 174.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.63 176.37 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.54 -161.37 36.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -172.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.44 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 111.231 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.14 119.78 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.18 130.78 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -176.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.401 ' O ' ' HA2' ' L' ' 33' ' ' GLY . . . -142.98 123.37 2.1 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.617 HD22 HD12 ' L' ' 34' ' ' LEU . 59.0 mt -120.2 141.13 50.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 111.21 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.46 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.219 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.89 111.62 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.42 48.56 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.52 -128.65 10.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.39 -52.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 -175.579 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.53 139.08 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' M' ' 17' ' ' LEU . 59.5 mt -116.54 136.37 53.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.71 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.75 112.15 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.149 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.54 111.02 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 174.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.33 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.21 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.54 25.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.99 96.26 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.3 122.55 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -175.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 -22.36 37.86 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.562 ' HA ' ' O ' ' M' ' 26' ' ' SER . 30.8 t -56.74 144.96 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 111.223 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.499 ' HA ' ' HA ' ' G' ' 26' ' ' SER . 85.5 m-20 -102.09 -2.1 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 174.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.69 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.468 ' O ' ' HA3' ' M' ' 29' ' ' GLY . . . -92.63 -161.37 36.38 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -172.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.42 28.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 111.205 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.05 119.88 58.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 176.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.22 130.71 71.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.544 ' HA2' ' O ' ' G' ' 33' ' ' GLY . . . -142.98 123.38 2.1 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.23 141.12 50.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 111.17 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.38 106.51 11.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.92 111.58 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.42 48.73 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 -128.67 10.54 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.36 -51.97 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 111.196 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.787 0.327 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.52 139.09 57.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.201 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.51 136.38 53.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 91.0 t -112.71 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.219 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.7 112.01 20.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.47 110.99 13.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.27 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.217 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.54 25.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.99 96.33 5.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.35 122.52 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.227 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.44 -22.31 38.01 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' H' ' 26' ' ' SER . 30.6 t -56.67 145.05 30.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.347 . . . . 0.0 111.192 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.24 -2.08 29.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 174.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.43 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.37 36.42 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.04 149.47 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.186 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.14 119.89 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.26 130.77 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.93 123.29 2.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.21 141.12 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 -175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.49 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -105.87 111.6 35.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.255 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.43 48.73 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.64 -128.57 10.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.54 -51.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.199 -1.564 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -175.608 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.05 57.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' O' ' 17' ' ' LEU . 59.4 mt -116.5 136.39 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -112.64 115.48 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -116.62 112.05 20.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.57 111.1 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.173 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.23 18.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.48 25.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.97 96.3 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 96.0 t -120.24 122.42 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.237 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -22.31 37.96 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . 0.692 ' HA ' ' O ' ' O' ' 26' ' ' SER . 30.7 t -56.66 144.94 30.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 111.176 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.07 -2.23 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.67 176.4 5.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.36 36.42 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.05 149.48 28.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 111.198 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.13 119.84 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.16 130.78 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -143.01 123.38 2.1 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.624 HD22 HD12 ' O' ' 34' ' ' LEU . 59.1 mt -120.2 141.06 50.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 111.264 -175.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.22 106.38 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.239 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.82 111.69 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.284 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.06 -4.45 48.97 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.68 10.41 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.41 -51.9 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.195 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--O 1.199 -1.56 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 -175.532 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.66 139.11 57.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' P' ' 17' ' ' LEU . 59.4 mt -116.45 136.38 53.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -112.67 115.51 50.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.247 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.7 112.08 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.5 111.03 13.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.22 18.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.95 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.27 122.45 68.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 -22.26 38.21 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' P' ' 26' ' ' SER . 30.7 t -56.75 145.05 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' J' ' 26' ' ' SER . 85.5 m-20 -102.21 -2.17 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 174.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . 0.469 ' O ' ' HA3' ' P' ' 29' ' ' GLY . . . -92.69 -161.3 36.3 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -172.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.43 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -123.13 119.91 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.22 130.71 71.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.253 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -142.97 123.36 2.1 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.18 141.08 50.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.42 11.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.245 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 87.9 t -105.9 111.61 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -176.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.2 -4.52 48.52 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.59 -128.65 10.52 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.41 -51.95 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -175.524 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.78 0.324 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.54 139.05 57.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 -175.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.48 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 89.7 t -112.71 115.45 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.69 112.09 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.48 110.95 13.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.276 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.33 18.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.25 113.49 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 -174.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.97 96.36 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.31 122.47 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.54 -22.43 37.46 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' K' ' 26' ' ' SER . 30.8 t -56.64 144.97 30.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 111.228 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.11 -2.21 29.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.6 -161.29 36.35 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -172.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.09 149.46 28.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 111.192 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.17 119.83 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.15 130.84 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.07 123.34 2.09 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.19 141.12 50.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.0 111.167 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.43 11.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -105.91 111.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.01 -4.36 49.08 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.55 -128.65 10.55 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.38 -52.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.22 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.249 -175.639 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.48 139.09 57.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' R' ' 17' ' ' LEU . 59.5 mt -116.46 136.34 53.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 88.3 t -112.67 115.47 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.229 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.65 112.09 20.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.59 111.06 13.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 174.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.31 18.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.54 25.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.31 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.2 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.35 122.47 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.46 -22.28 38.09 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . 0.693 ' HA ' ' O ' ' R' ' 26' ' ' SER . 30.6 t -56.64 145.0 29.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 111.174 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.18 -2.18 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.57 -161.33 36.39 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -172.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.5 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 111.205 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -123.18 119.79 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.14 130.75 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.208 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' L' ' 33' ' ' GLY . . . -143.02 123.4 2.11 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 175.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.626 HD22 HD12 ' R' ' 34' ' ' LEU . 59.1 mt -120.16 141.14 50.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.243 -175.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.35 106.44 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.194 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -105.91 111.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.5 48.97 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.78 10.5 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.4 -51.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.225 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.819 0.343 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.47 139.12 57.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.255 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.541 ' HB2' HD22 ' M' ' 17' ' ' LEU . 59.5 mt -116.43 136.41 53.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.68 115.5 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.67 112.01 20.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.243 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 111.09 13.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.189 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.72 108.31 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.198 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.51 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.191 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.3 122.46 68.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.193 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 -22.46 37.34 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . 0.566 ' O ' ' HA ' ' M' ' 26' ' ' SER . 30.6 t -56.54 145.04 29.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 111.191 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . 0.495 ' HA ' ' HA ' ' M' ' 26' ' ' SER . 85.6 m-20 -102.23 -2.22 29.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 174.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.65 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' M' ' 29' ' ' GLY . . . -92.65 -161.31 36.33 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -172.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.43 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 111.29 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.11 119.93 59.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.29 130.78 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -176.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' M' ' 33' ' ' GLY . . . -142.96 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.22 141.11 50.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.26 106.51 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.97 111.71 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.51 48.73 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.64 -128.67 10.49 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.39 -51.94 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -175.591 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.48 139.07 57.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 mt -116.47 136.46 52.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -112.74 115.52 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.73 112.09 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.48 111.07 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 174.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.22 18.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.205 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.19 113.5 25.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 -174.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.99 96.36 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.228 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 94.4 t -120.33 122.48 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.194 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.37 37.72 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' N' ' 26' ' ' SER . 30.7 t -56.71 145.07 30.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 111.212 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.24 -2.13 29.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.63 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.61 -161.32 36.36 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.43 28.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.24 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.12 119.87 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 88.5 mt -127.21 130.79 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.97 123.35 2.1 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 59.1 mt -120.2 141.08 50.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.727 0.299 . . . . 0.0 111.274 -175.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.57 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 175.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -105.97 111.65 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 -176.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.52 48.71 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.68 10.44 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 97.6 t -121.44 -51.97 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.811 0.338 . . . . 0.0 111.14 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -175.623 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.772 0.32 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.43 139.04 57.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . 0.548 HD22 ' HB2' ' U' ' 17' ' ' LEU . 59.6 mt -116.45 136.39 53.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -112.74 115.51 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.66 112.07 20.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.201 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 110.99 13.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.39 18.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.51 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.173 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.98 96.18 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 95.9 t -120.2 122.53 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.47 -22.31 37.99 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . 0.693 ' O ' ' HA ' ' O' ' 26' ' ' SER . 30.9 t -56.79 144.99 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.187 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.11 -2.11 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 174.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.75 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.35 36.4 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -172.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.07 149.41 28.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.223 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.11 119.88 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -127.23 130.66 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.273 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' O' ' 33' ' ' GLY . . . -142.9 123.32 2.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 175.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.631 HD22 HD12 ' U' ' 34' ' ' LEU . 58.9 mt -120.22 141.07 50.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.216 -175.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.55 11.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.91 111.62 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.42 48.76 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 -128.74 10.55 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.37 -51.99 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.154 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 -175.565 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.46 139.1 57.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.25 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' V' ' 17' ' ' LEU . 59.5 mt -116.57 136.36 53.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.191 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -112.73 115.54 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.67 112.14 20.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.206 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.6 111.0 13.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.33 18.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.111 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.29 113.55 25.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -174.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.43 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.39 122.46 68.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.43 37.52 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 26' ' ' SER . . . . . 0.57 ' HA ' ' O ' ' V' ' 26' ' ' SER . 30.7 t -56.68 145.03 30.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 111.16 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 27' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' P' ' 26' ' ' SER . 85.5 m-20 -102.12 -2.21 29.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.259 174.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.7 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 29' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' P' ' 29' ' ' GLY . . . -92.65 -161.36 36.36 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -172.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.96 149.5 28.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 111.236 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.19 119.82 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.202 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.18 130.78 71.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 33' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' P' ' 33' ' ' GLY . . . -142.96 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 175.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.2 141.08 50.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.738 0.304 . . . . 0.0 111.273 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.49 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 88.2 t -105.85 111.66 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.44 48.9 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.65 -128.62 10.44 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.51 -51.93 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.211 -175.579 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.779 0.323 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.55 139.03 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -116.42 136.38 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.242 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -112.63 115.57 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.73 112.09 20.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.02 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.24 18.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.15 113.45 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.29 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.92 96.37 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.35 122.4 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.46 -22.25 38.21 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 26' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' Q' ' 26' ' ' SER . 30.8 t -56.76 145.13 30.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 111.151 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.25 -2.16 29.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.206 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.66 176.36 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.49 -161.4 36.48 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -172.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.02 149.46 28.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.778 0.323 . . . . 0.0 111.222 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.13 119.87 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.2 130.74 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.98 123.45 2.12 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.29 141.12 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.197 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.28 106.48 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.256 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -105.92 111.64 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.17 -4.51 48.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.68 10.47 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.42 -51.95 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 111.144 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.257 -175.572 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.741 0.305 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.55 139.09 57.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 17' ' ' LEU . . . . . 0.548 ' HB2' HD22 ' R' ' 17' ' ' LEU . 59.7 mt -116.49 136.38 53.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.72 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.7 112.1 20.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.54 110.95 13.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.66 108.29 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.259 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.53 25.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.94 96.3 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.34 122.57 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 -22.39 37.74 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 26' ' ' SER . . . . . 0.693 ' O ' ' HA ' ' R' ' 26' ' ' SER . 30.6 t -56.63 145.07 29.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 111.236 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.19 -2.18 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 174.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.65 176.42 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -176.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.29 36.37 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -172.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.42 28.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.321 . . . . 0.0 111.18 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -123.12 119.81 58.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.18 130.74 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.95 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 34' ' ' LEU . . . . . 0.637 HD22 HD12 ' X' ' 34' ' ' LEU . 59.2 mt -120.19 141.12 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.236 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.47 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -105.85 111.61 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -176.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.44 48.63 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.57 -128.65 10.54 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.42 -52.01 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.178 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -175.555 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.837 0.351 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.45 139.07 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.158 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 17' ' ' LEU . . . . . 0.547 HD22 ' HB2' ' Y' ' 17' ' ' LEU . 59.5 mt -116.53 136.44 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.71 115.53 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.68 112.11 20.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.212 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.59 110.97 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.31 18.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.42 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.237 -174.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.92 96.25 4.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.245 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -120.38 122.46 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.55 -22.34 37.77 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 26' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' Y' ' 26' ' ' SER . 30.7 t -56.71 144.98 30.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 111.222 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' V' V ' 27' ' ' ASN . . . . . 0.51 ' HA ' ' HA ' ' S' ' 26' ' ' SER . 85.6 m-20 -102.09 -2.25 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 174.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.55 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.284 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 29' ' ' GLY . . . . . 0.468 ' O ' ' HA3' ' Y' ' 29' ' ' GLY . . . -92.61 -161.29 36.34 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.11 149.4 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 111.275 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.03 119.85 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.26 130.79 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.205 -176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 33' ' ' GLY . . . . . 0.542 ' O ' ' HA2' ' Y' ' 33' ' ' GLY . . . -143.03 123.33 2.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' V' V ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.17 141.18 50.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 -175.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.36 106.49 11.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -105.99 111.73 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.51 48.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.67 -128.6 10.41 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.49 -51.93 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 111.172 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 87.3 t . . . . . 0 C--O 1.199 -1.554 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 -175.593 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.54 139.11 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.48 136.37 53.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -112.71 115.57 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.69 112.04 20.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.24 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.5 111.15 14.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.8 108.27 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.22 113.54 25.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.98 96.34 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -120.34 122.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -175.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 -22.37 37.63 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 26' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' T' ' 26' ' ' SER . 30.7 t -56.66 145.04 29.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.157 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.22 -2.17 29.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 174.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.66 176.35 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 -176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.49 -161.22 36.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -172.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.17 149.4 28.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 111.234 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.07 119.85 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.21 130.74 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -176.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.99 123.39 2.11 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 59.0 mt -120.22 141.03 50.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 0.0 111.231 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.25 106.47 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.23 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.88 111.66 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.56 48.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.63 10.39 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.51 -52.01 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 111.121 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.211 -175.588 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.839 0.352 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.06 57.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.547 ' HB2' HD22 ' U' ' 17' ' ' LEU . 59.6 mt -116.49 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.7 115.53 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.74 112.06 20.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.07 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.3 18.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.26 4.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.226 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -120.28 122.56 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.28 38.1 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 26' ' ' SER . . . . . 0.691 ' O ' ' HA ' ' U' ' 26' ' ' SER . 30.8 t -56.7 145.05 30.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.21 -2.15 29.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 174.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.58 176.47 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.69 -161.29 36.3 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -172.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.47 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.178 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.09 119.94 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.32 130.66 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 34' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 34' ' ' LEU . 59.0 mt -120.17 141.11 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 111.245 -175.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.43 11.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -105.89 111.68 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.07 -4.46 48.95 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.61 -128.66 10.5 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.37 -52.03 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.349 . . . . 0.0 111.243 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.199 -1.571 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.207 -175.602 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.815 0.34 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.48 139.1 57.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 17' ' ' LEU . . . . . 0.547 ' HB2' HD22 ' V' ' 17' ' ' LEU . 59.8 mt -116.51 136.41 53.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.69 115.49 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.71 112.11 20.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 111.04 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.19 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.13 113.55 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -174.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.02 96.31 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.33 122.46 68.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.33 37.87 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 26' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' A' ' 26' ' ' SER . 30.8 t -56.63 145.02 29.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.0 111.202 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 27' ' ' ASN . . . . . 0.515 ' HA ' ' HA ' ' V' ' 26' ' ' SER . 85.6 m-20 -102.18 -2.16 29.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 174.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.7 176.45 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.18 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 29' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' V' ' 29' ' ' GLY . . . -92.57 -161.36 36.41 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -172.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.07 149.45 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 111.233 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.15 119.86 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.21 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.25 130.78 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 33' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' V' ' 33' ' ' GLY . . . -142.97 123.49 2.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 175.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 34' ' ' LEU . . . . . . . . . . . . . 59.5 mt -120.28 141.11 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.347 . . . . 0.0 111.204 -175.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.32 106.4 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 90.1 t -105.91 111.67 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -176.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.44 48.62 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.69 10.48 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.47 -51.94 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 111.166 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -175.633 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.06 57.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.173 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 59.4 mt -116.48 136.33 53.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.236 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -112.66 115.55 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.72 112.01 20.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 111.05 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.33 18.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.207 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.0 96.33 5.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -120.34 122.5 68.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.56 -22.45 37.39 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 26' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' W' ' 26' ' ' SER . 30.6 t -56.59 144.96 29.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.231 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.18 -2.01 30.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.4 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.193 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.33 36.38 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -172.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.04 149.41 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 111.268 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.09 119.92 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.27 130.67 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.215 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.97 123.43 2.12 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.24 141.1 50.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.249 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.45 11.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.88 111.71 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.229 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.1 -4.49 48.86 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.65 10.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.46 -51.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 0.0 111.168 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -175.581 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.774 0.321 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.47 139.05 57.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 59.4 mt -116.42 136.38 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.71 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.69 112.12 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.6 111.05 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 174.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.65 108.23 18.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.224 175.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.25 113.54 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.235 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.199 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -120.39 122.43 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.59 -22.46 37.3 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -56.55 144.98 29.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.13 -2.25 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 174.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.59 176.38 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.27 36.35 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -172.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.37 28.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 111.242 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.1 119.86 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.238 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.22 130.74 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.24 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.33 2.09 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.19 141.1 50.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 111.224 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.27 106.51 11.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.88 111.69 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.04 -4.38 48.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.68 -128.7 10.47 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.46 -51.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 111.217 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -175.582 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.777 0.322 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -98.08 125.02 42.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' X' ' 20' ' ' PHE . . . -134.81 117.69 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.68 130.95 23.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 174.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.96 117.26 25.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -120.91 120.15 61.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.05 27.75 73.55 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 172.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' X' ' 26' ' ' SER . 40.0 t -96.07 151.14 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.202 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.62 -12.84 55.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.219 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.85 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.86 160.06 38.6 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.54 147.94 35.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.24 105.27 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.46 116.99 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -171.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 110.8 1.28 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' Y' ' 34' ' ' LEU . 10.4 tt -125.66 127.34 46.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.248 -176.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.54 130.14 47.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.912 HG11 HD21 ' Y' ' 17' ' ' LEU . 2.5 p -127.26 135.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.56 10.08 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.17 51.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' Y' ' 39' ' ' VAL . 90.6 t -114.33 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.732 0.301 . . . . 0.0 111.166 172.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 C--O 1.2 -1.536 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 179.663 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.32 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -173.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.417 HD21 HG11 ' E' ' 36' ' ' VAL . 5.3 mp -123.88 135.61 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.12 125.34 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.26 116.56 20.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.04 125.0 42.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.86 117.77 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.72 130.91 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.24 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.19 25.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.24 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.82 120.15 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.211 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.12 27.75 73.55 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -96.1 151.19 19.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.191 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.61 -12.88 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.21 150.85 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 160.0 38.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.55 148.03 35.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.826 0.346 . . . . 0.0 111.193 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.31 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 -171.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.97 110.79 1.26 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.415 ' C ' HD23 ' B' ' 34' ' ' LEU . 10.4 tt -125.62 127.36 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.184 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.6 130.08 46.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.2 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.2 135.34 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.6 10.1 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.23 51.81 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -175.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.22 -56.88 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 111.231 172.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.713 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.784 0.326 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.75 142.28 35.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.564 HD21 HG11 ' F' ' 36' ' ' VAL . 5.3 mp -123.81 135.62 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.236 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.16 125.31 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.61 20.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.723 ' O ' ' HB3' ' F' ' 21' ' ' ALA . 54.0 t80 -98.04 124.96 42.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.8 117.77 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.74 130.92 23.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.23 25.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.8 120.16 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.09 27.75 73.55 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' F' ' 26' ' ' SER . 39.9 t -96.09 151.19 19.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 111.202 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.64 -12.92 55.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.178 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.11 150.83 41.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 159.99 38.6 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.95 35.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 111.149 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.31 105.28 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 176.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.44 117.1 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.91 110.76 1.26 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.406 ' C ' HD23 ' C' ' 34' ' ' LEU . 10.4 tt -125.63 127.44 46.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.165 -176.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.17 46.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.481 HG23 HG13 ' F' ' 36' ' ' VAL . 2.5 p -127.22 135.38 63.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.63 15.55 10.16 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.17 51.83 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.28 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.211 172.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.275 179.648 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.34 35.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.933 HD21 HG11 ' G' ' 36' ' ' VAL . 5.3 mp -123.89 135.53 53.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.06 125.38 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.3 116.54 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -98.02 124.92 42.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.74 117.72 16.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.73 130.88 23.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.209 174.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.94 117.33 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.93 120.11 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.79 73.57 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 172.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -96.03 151.15 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 111.199 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.65 -12.86 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.18 150.71 41.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.66 159.99 38.92 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.5 147.93 35.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.196 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.26 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.25 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.42 117.06 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.76 1.26 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' G' ' 34' ' ' LEU . 10.4 tt -125.64 127.44 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.192 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.25 135.36 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.69 15.61 10.06 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.2 51.75 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -175.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.32 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 111.161 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.284 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.84 0.353 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.7 142.36 35.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.416 HD21 HG11 ' H' ' 36' ' ' VAL . 5.3 mp -123.9 135.67 53.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.17 125.32 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.51 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.01 124.93 42.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.75 117.73 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.75 130.94 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.3 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.205 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -120.96 120.14 61.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.7 73.54 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 172.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.03 151.19 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.76 -12.79 55.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.144 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.19 150.7 41.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.233 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.62 159.91 38.91 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.48 147.97 35.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.178 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.2 105.19 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.238 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -116.36 117.02 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.246 -171.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.88 110.76 1.27 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.416 ' C ' HD23 ' E' ' 34' ' ' LEU . 10.4 tt -125.61 127.42 46.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 111.191 -176.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.13 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.417 HG11 HD21 ' B' ' 17' ' ' LEU . 2.5 p -127.29 135.35 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 15.51 10.14 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.92 -156.22 51.95 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.26 -56.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.189 172.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.834 0.349 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.86 142.3 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.566 HD21 HG11 ' I' ' 36' ' ' VAL . 5.3 mp -123.78 135.63 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -126.12 125.34 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.229 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.27 116.5 19.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.719 ' O ' ' HB3' ' I' ' 21' ' ' ALA . 53.7 t80 -98.05 125.04 42.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' C' ' 20' ' ' PHE . . . -134.8 117.82 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.94 23.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 174.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.97 117.25 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -120.83 120.07 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.205 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.25 27.62 73.53 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' I' ' 26' ' ' SER . 39.9 t -95.98 151.18 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.714 0.292 . . . . 0.0 111.236 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.66 -12.89 55.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.78 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.76 160.03 38.76 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.55 148.01 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 111.159 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.33 105.17 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.44 117.12 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 -171.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.69 1.26 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.405 HD23 ' C ' ' F' ' 34' ' ' LEU . 10.4 tt -125.56 127.33 46.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 111.285 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.51 130.03 46.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.248 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.564 HG11 HD21 ' C' ' 17' ' ' LEU . 2.5 p -127.16 135.33 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.77 15.45 10.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.88 -156.14 51.89 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -114.31 -57.01 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 0.0 111.121 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.247 179.688 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.813 0.339 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.35 35.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -173.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.928 HD21 HG11 ' J' ' 36' ' ' VAL . 5.3 mp -123.85 135.64 53.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -126.2 125.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.21 116.57 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -98.11 124.96 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.78 117.73 16.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.69 130.94 23.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.233 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -122.0 117.3 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.82 120.06 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.17 27.67 73.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -95.98 151.12 19.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 111.277 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.62 -12.88 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.241 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.78 41.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.71 159.92 38.75 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 148.0 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 111.24 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 42.3 mm -101.28 105.27 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.44 117.1 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.98 110.78 1.26 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' J' ' 34' ' ' LEU . 10.4 tt -125.68 127.4 46.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 111.186 -176.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.13 46.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.933 HG11 HD21 ' D' ' 17' ' ' LEU . 2.5 p -127.33 135.32 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.55 10.07 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.93 -156.2 51.97 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.31 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 179.701 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.854 0.359 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.34 35.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -173.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.413 HD21 HG11 ' K' ' 36' ' ' VAL . 5.3 mp -123.91 135.65 53.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.14 125.36 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 174.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.28 116.53 19.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.08 125.05 42.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.77 117.84 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.98 117.24 25.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.205 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.82 120.14 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.18 27.73 73.55 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 172.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.06 151.21 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.0 111.186 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.69 -12.83 55.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.14 150.8 41.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.81 159.98 38.6 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 147.96 35.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 0.0 111.2 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.29 105.31 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.46 117.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.81 1.27 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.411 ' C ' HD23 ' H' ' 34' ' ' LEU . 10.4 tt -125.67 127.42 46.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 111.191 -176.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.62 130.13 46.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 176.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.416 HG11 HD21 ' E' ' 17' ' ' LEU . 2.5 p -127.29 135.31 63.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.59 10.07 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.2 51.72 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.31 -56.81 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 111.201 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.698 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.783 0.325 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.68 142.29 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 -173.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.566 HD21 HG11 ' L' ' 36' ' ' VAL . 5.3 mp -123.86 135.64 53.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.204 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -126.12 125.31 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 174.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.28 116.49 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -176.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.718 ' O ' ' HB3' ' L' ' 21' ' ' ALA . 53.4 t80 -98.05 124.99 42.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' F' ' 20' ' ' PHE . . . -134.7 117.73 16.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.223 174.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.29 26.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.92 120.19 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 172.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' L' ' 26' ' ' SER . 40.0 t -96.04 151.12 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.197 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.65 -12.89 55.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.11 150.76 41.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.74 159.96 38.74 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.43 147.97 35.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 111.217 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.35 105.27 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -116.45 117.16 54.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -171.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.95 110.78 1.26 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.408 HD23 ' C ' ' I' ' 34' ' ' LEU . 10.4 tt -125.66 127.35 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -176.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.56 130.14 46.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.183 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.566 HG11 HD21 ' F' ' 17' ' ' LEU . 2.5 p -127.27 135.32 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 15.68 10.02 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.77 -156.25 51.59 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -175.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.23 -56.87 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 111.194 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 179.69 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.742 0.306 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.67 142.34 35.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.922 HD21 HG11 ' M' ' 36' ' ' VAL . 5.3 mp -123.87 135.58 53.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.298 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -126.08 125.36 67.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.34 116.56 19.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.08 124.96 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.222 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.79 117.81 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.83 130.94 23.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.92 117.18 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.243 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -120.85 120.09 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.18 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -95.98 151.2 19.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.777 0.322 . . . . 0.0 111.235 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.68 -12.86 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.216 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.84 41.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.96 38.51 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.51 148.0 35.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.222 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.29 105.25 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -116.46 117.07 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 110.85 1.28 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' M' ' 34' ' ' LEU . 10.4 tt -125.74 127.38 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 111.107 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.57 130.2 47.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.928 HG11 HD21 ' G' ' 17' ' ' LEU . 2.5 p -127.28 135.35 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.73 15.55 10.08 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.19 51.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.26 -56.94 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.16 172.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.735 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 120.861 0.362 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.73 142.25 35.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -173.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.407 HD21 HG11 ' N' ' 36' ' ' VAL . 5.3 mp -123.84 135.62 53.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -126.13 125.31 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.49 19.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -98.08 124.88 42.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.68 117.8 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.77 130.87 23.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.199 174.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.92 117.2 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -120.81 120.16 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 27.68 73.54 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 172.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.04 151.21 19.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 111.214 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.7 -12.85 55.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.14 150.81 41.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.72 159.95 38.76 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 148.01 35.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 111.209 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.28 105.23 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.09 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.73 1.26 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.412 HD23 ' C ' ' K' ' 34' ' ' LEU . 10.4 tt -125.61 127.38 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 111.239 -176.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.413 HG11 HD21 ' H' ' 17' ' ' LEU . 2.5 p -127.24 135.33 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.51 10.13 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.91 -156.17 51.95 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -175.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 90.0 t -114.32 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 111.246 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.81 142.25 35.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.567 HD21 HG11 ' O' ' 36' ' ' VAL . 5.3 mp -123.84 135.61 53.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.13 125.33 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.28 116.52 19.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . 0.72 ' O ' ' HB3' ' O' ' 21' ' ' ALA . 53.6 t80 -98.02 124.95 42.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' I' ' 20' ' ' PHE . . . -134.78 117.81 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.76 130.89 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.206 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.27 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -120.82 120.13 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.262 -175.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.21 27.63 73.53 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' O' ' 26' ' ' SER . 39.9 t -96.03 151.12 19.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 0.0 111.246 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.67 -12.79 55.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.89 41.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.88 159.99 38.47 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 147.98 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 111.207 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.37 116.97 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 110.82 1.28 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.408 ' C ' HD23 ' L' ' 34' ' ' LEU . 10.4 tt -125.68 127.37 46.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.348 . . . . 0.0 111.192 -176.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.6 130.15 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.566 HG11 HD21 ' I' ' 17' ' ' LEU . 2.5 p -127.2 135.35 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 15.57 10.11 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 -156.19 51.85 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.25 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 111.229 172.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.676 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 120.845 0.355 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.3 35.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.914 HD21 HG11 ' P' ' 36' ' ' VAL . 5.3 mp -123.82 135.6 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -126.21 125.26 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.25 116.51 19.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.01 124.91 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 117.78 16.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.78 130.85 23.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 174.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.87 117.33 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 97.7 t -120.88 120.13 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.66 73.53 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 172.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -95.95 151.17 19.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.212 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.69 -12.89 55.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.1 150.89 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.98 38.54 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.98 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 111.27 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.27 105.28 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.49 117.15 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.91 110.76 1.26 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' J' ' 34' ' ' LEU . 10.4 tt -125.71 127.42 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.212 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.922 HG11 HD21 ' J' ' 17' ' ' LEU . 2.5 p -127.26 135.39 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.62 15.66 10.07 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.8 -156.22 51.69 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.25 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.229 172.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.637 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.817 0.341 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.34 35.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.403 HD21 HG11 ' Q' ' 36' ' ' VAL . 5.3 mp -123.82 135.62 53.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.18 125.25 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.25 116.54 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -176.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.03 124.88 42.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.69 117.81 16.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.91 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.97 117.29 26.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.85 120.12 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.229 -174.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.78 73.56 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.1 151.21 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.16 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.66 -12.87 55.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.79 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 160.02 38.73 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.54 148.02 35.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.197 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.22 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.37 117.11 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 -171.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.82 1.27 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' N' ' 34' ' ' LEU . 10.4 tt -125.7 127.3 46.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 111.193 -176.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.48 130.14 47.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.407 HG11 HD21 ' K' ' 17' ' ' LEU . 2.5 p -127.28 135.3 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.205 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.64 10.02 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.22 51.74 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.3 -56.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 179.676 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.887 0.375 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 142.27 35.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.266 -173.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.565 HD21 HG11 ' R' ' 36' ' ' VAL . 5.3 mp -123.78 135.65 53.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.16 125.31 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.211 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.29 116.63 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . 0.72 ' O ' ' HB3' ' R' ' 21' ' ' ALA . 53.5 t80 -98.13 124.97 42.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' L' ' 20' ' ' PHE . . . -134.74 117.79 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.79 130.89 23.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.256 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.26 26.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.85 120.11 61.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.12 27.77 73.56 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 172.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' R' ' 26' ' ' SER . 39.7 t -96.14 151.25 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.191 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.7 -12.88 55.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.82 41.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 159.93 38.65 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.41 148.0 35.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.228 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.33 105.23 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.07 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -171.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 110.76 1.27 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.409 ' C ' HD23 ' O' ' 34' ' ' LEU . 10.4 tt -125.68 127.4 46.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 111.241 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.05 46.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.567 HG11 HD21 ' L' ' 17' ' ' LEU . 2.5 p -127.2 135.41 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.178 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.63 15.62 10.1 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.79 -156.25 51.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.24 -56.95 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.186 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.251 179.651 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.74 142.31 35.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.285 -173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.904 HD21 HG11 ' S' ' 36' ' ' VAL . 5.3 mp -123.86 135.58 53.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.1 125.28 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 174.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.26 116.56 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.07 124.95 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.69 117.74 16.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.26 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.79 130.85 23.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.19 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.86 117.27 26.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.244 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.89 120.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -96.01 151.15 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.59 -12.86 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.18 150.85 41.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.78 159.94 38.64 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.44 147.96 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.3 105.28 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.48 117.01 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.186 -171.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 110.82 1.28 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' S' ' 34' ' ' LEU . 10.4 tt -125.68 127.41 46.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.17 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.11 46.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.914 HG11 HD21 ' M' ' 17' ' ' LEU . 2.5 p -127.24 135.45 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.61 15.53 10.19 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.95 -156.22 51.99 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' S' ' 39' ' ' VAL . 90.4 t -114.28 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.192 172.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 179.665 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.34 35.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . 0.401 HD21 HG11 ' T' ' 36' ' ' VAL . 5.3 mp -123.79 135.6 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.07 125.21 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.22 116.57 20.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.205 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.09 124.93 42.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.67 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.27 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.72 130.88 23.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.23 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.88 120.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.05 27.81 73.57 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.11 151.2 19.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.871 0.367 . . . . 0.0 111.137 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.72 -12.8 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.275 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.85 41.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.184 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.91 159.99 38.43 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 148.01 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.758 0.313 . . . . 0.0 111.212 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.43 117.05 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.182 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 110.76 1.27 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' Q' ' 34' ' ' LEU . 10.4 tt -125.65 127.4 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.735 0.303 . . . . 0.0 111.184 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.66 130.09 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . 0.403 HG11 HD21 ' N' ' 17' ' ' LEU . 2.5 p -127.17 135.33 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.74 15.6 10.04 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.18 51.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.29 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 111.208 172.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.72 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.794 0.331 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.67 142.31 35.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . 0.566 HD21 HG11 ' U' ' 36' ' ' VAL . 5.3 mp -123.84 135.63 53.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.12 125.29 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.56 20.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . 0.719 ' O ' ' HB3' ' U' ' 21' ' ' ALA . 54.0 t80 -98.08 124.88 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' O' ' 20' ' ' PHE . . . -134.68 117.82 16.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.92 117.27 26.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.92 120.18 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.08 27.74 73.55 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 172.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' O' ' 26' ' ' SER . 39.6 t -96.12 151.23 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.72 -12.81 55.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.21 150.8 41.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.74 159.99 38.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.97 35.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.825 0.345 . . . . 0.0 111.235 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.32 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.42 117.14 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.93 110.74 1.26 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.414 HD23 ' C ' ' R' ' 34' ' ' LEU . 10.4 tt -125.66 127.35 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 111.163 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.17 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . 0.565 HG11 HD21 ' O' ' 17' ' ' LEU . 2.5 p -127.24 135.25 64.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.58 10.04 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 -156.24 51.82 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -175.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.21 -56.86 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.265 172.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.198 -1.621 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.719 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.813 0.339 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.75 142.38 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 0.897 HD21 HG11 ' V' ' 36' ' ' VAL . 5.3 mp -123.87 135.6 53.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.08 125.33 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.35 116.56 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 -176.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.01 125.0 42.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.82 117.79 16.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.75 130.88 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.226 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.94 117.26 26.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.215 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 97.9 t -120.85 120.17 61.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 172.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.09 151.23 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.17 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.69 -12.84 55.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.16 150.8 41.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.208 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.99 38.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.51 148.06 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.36 105.22 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.42 117.05 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.86 110.78 1.27 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' P' ' 34' ' ' LEU . 10.4 tt -125.63 127.41 46.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.193 -176.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.09 46.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 36' ' ' VAL . . . . . 0.904 HG11 HD21 ' P' ' 17' ' ' LEU . 2.5 p -127.2 135.41 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.61 15.56 10.17 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.21 51.73 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' V' ' 39' ' ' VAL . 89.6 t -114.24 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.166 172.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.721 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.74 142.36 35.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 17' ' ' LEU . . . . . 0.404 HD21 HG11 ' W' ' 36' ' ' VAL . 5.3 mp -123.9 135.63 53.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.15 125.35 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.3 116.52 19.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -98.06 124.89 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.86 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.199 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.94 117.35 26.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 99.3 t -120.91 120.16 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.74 73.55 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 172.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.07 151.19 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.177 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.72 -12.8 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.16 150.84 41.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.75 159.95 38.69 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.45 148.01 35.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.244 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.19 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.207 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.36 117.02 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -171.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.85 110.78 1.27 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 34' ' ' LEU . . . . . 0.413 ' C ' HD23 ' T' ' 34' ' ' LEU . 10.4 tt -125.62 127.45 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.254 -176.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.61 130.06 46.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 36' ' ' VAL . . . . . 0.401 HG11 HD21 ' Q' ' 17' ' ' LEU . 2.5 p -127.18 135.34 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.68 15.61 10.07 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.17 51.78 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.23 -56.97 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 111.275 172.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.258 179.626 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.771 0.319 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.35 35.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.201 -173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 17' ' ' LEU . . . . . 0.563 HD21 HG11 ' X' ' 36' ' ' VAL . 5.3 mp -123.83 135.56 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -126.13 125.4 67.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.184 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.32 116.6 20.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 20' ' ' PHE . . . . . 0.717 ' O ' ' HB3' ' X' ' 21' ' ' ALA . 53.5 t80 -98.07 124.95 42.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.205 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' U' U ' 21' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' R' ' 20' ' ' PHE . . . -134.74 117.79 16.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.8 130.91 23.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.97 117.24 25.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -120.87 120.18 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.7 73.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 26' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' X' ' 26' ' ' SER . 39.8 t -96.09 151.19 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 0.0 111.192 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.74 -12.76 55.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.16 150.83 41.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.88 159.99 38.49 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.48 147.96 35.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 111.213 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.34 105.33 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.05 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -171.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.75 1.26 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 34' ' ' LEU . . . . . 0.416 HD23 ' C ' ' U' ' 34' ' ' LEU . 10.4 tt -125.7 127.37 46.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.24 -176.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.11 46.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 36' ' ' VAL . . . . . 0.566 HG11 HD21 ' R' ' 17' ' ' LEU . 2.5 p -127.27 135.31 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 178.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.46 10.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.84 -156.21 51.77 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.19 -56.9 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 172.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.738 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.75 0.31 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 142.29 35.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 17' ' ' LEU . . . . . 0.904 HD21 HG11 ' Y' ' 36' ' ' VAL . 5.3 mp -123.83 135.63 53.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.15 125.39 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 174.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.29 116.52 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.233 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.06 124.94 42.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.72 117.78 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.94 23.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.96 117.33 26.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.92 120.17 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -174.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 172.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.01 151.16 19.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.75 -12.74 55.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.196 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.82 41.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.79 159.98 38.65 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.56 147.96 35.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 111.203 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.23 105.27 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.242 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.44 117.07 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 -171.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.72 1.26 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' Y' ' 34' ' ' LEU . 10.4 tt -125.64 127.45 46.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 111.239 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.62 130.1 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 36' ' ' VAL . . . . . 0.897 HG11 HD21 ' S' ' 17' ' ' LEU . 2.5 p -127.19 135.3 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.73 15.59 10.05 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.85 -156.16 51.84 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 39' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' Y' ' 39' ' ' VAL . 89.2 t -114.3 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 111.195 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.191 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.773 0.321 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.76 142.34 35.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 17' ' ' LEU . . . . . 0.408 HD21 HG11 ' Z' ' 36' ' ' VAL . 5.3 mp -123.88 135.52 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -126.06 125.24 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.216 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.26 116.55 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 -176.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -98.05 124.88 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 117.8 16.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.78 130.87 23.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.89 117.23 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.85 120.17 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.11 27.74 73.55 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 172.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.11 151.24 19.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.71 -12.86 55.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.2 150.75 41.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.76 159.99 38.72 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.98 35.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.28 105.24 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.43 117.1 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -171.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.79 1.27 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' W' ' 34' ' ' LEU . 10.4 tt -125.62 127.36 46.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.234 -176.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.07 46.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 36' ' ' VAL . . . . . 0.404 HG11 HD21 ' T' ' 17' ' ' LEU . 2.5 p -127.24 135.33 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.68 15.61 10.07 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.84 -156.16 51.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.33 -56.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 0.0 111.206 172.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 179.647 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.746 0.308 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.33 35.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.246 -173.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.562 HD21 HG11 ' A' ' 36' ' ' VAL . 5.3 mp -123.86 135.57 53.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.27 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -126.08 125.34 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.51 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . 0.712 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 53.8 t80 -98.02 124.9 42.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' U' ' 20' ' ' PHE . . . -134.65 117.75 16.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.308 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.87 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.163 174.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.88 117.18 25.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.25 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 96.7 t -120.77 120.16 61.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 -175.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 27.63 73.52 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 26' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 26' ' ' SER . 40.0 t -95.91 151.19 19.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.762 0.315 . . . . 0.0 111.215 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.71 -12.91 55.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.12 150.78 41.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.86 160.01 38.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.93 35.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 111.181 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.15 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.34 117.09 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -171.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.77 1.27 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 34' ' ' LEU . . . . . 0.413 ' C ' HD23 ' X' ' 34' ' ' LEU . 10.4 tt -125.69 127.38 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 111.222 -176.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.17 47.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 36' ' ' VAL . . . . . 0.563 HG11 HD21 ' U' ' 17' ' ' LEU . 2.5 p -127.27 135.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.68 10.02 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.19 51.73 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.26 -56.87 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.251 179.656 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.777 0.322 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.75 142.34 35.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.259 -173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 17' ' ' LEU . . . . . 0.912 HD21 HG11 ' A' ' 36' ' ' VAL . 5.3 mp -123.89 135.6 53.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.1 125.37 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.29 116.55 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.05 124.85 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.82 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.14 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.77 130.92 23.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.246 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.96 117.24 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -120.88 120.13 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.2 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.05 151.18 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 111.159 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.66 -12.9 55.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.03 150.76 41.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.285 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 160.0 38.71 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 147.99 35.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 111.186 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.24 105.26 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -116.45 117.12 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -171.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.76 1.26 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 10.4 tt -125.64 127.42 46.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 -176.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.57 130.12 46.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 36' ' ' VAL . . . . . 0.904 HG11 HD21 ' V' ' 17' ' ' LEU . 2.5 p -127.24 135.3 63.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.62 10.08 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.89 -156.26 51.86 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -175.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 39' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' VAL . 89.5 t -114.24 -56.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 111.196 172.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 91.3 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 179.67 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.834 0.35 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.32 35.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 -173.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.84 135.64 53.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.1 125.37 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.34 116.56 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.167 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.01 124.94 42.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.237 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.75 117.77 16.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.76 131.0 23.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.99 117.28 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.2 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.86 120.17 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 172.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.05 151.24 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.239 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.73 -12.91 55.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.1 150.86 41.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 159.99 38.61 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.94 35.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 111.183 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.24 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.41 117.14 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.79 1.27 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' Z' ' 34' ' ' LEU . 10.4 tt -125.63 127.38 46.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.61 130.13 46.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 36' ' ' VAL . . . . . 0.408 HG11 HD21 ' W' ' 17' ' ' LEU . 2.5 p -127.27 135.38 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 15.49 10.16 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.88 -156.21 51.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.23 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 111.234 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.743 0.306 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.77 142.35 35.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.221 -173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.89 135.57 53.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.14 125.36 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.32 116.47 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.198 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -97.97 124.97 42.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.72 117.7 16.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.8 130.96 23.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.95 117.23 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.236 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.88 120.22 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -174.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.04 27.78 73.56 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.06 151.26 19.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.354 . . . . 0.0 111.168 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.75 -12.84 55.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.78 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.8 160.01 38.66 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.49 148.0 35.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.184 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.33 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -116.44 117.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.8 1.27 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tt -125.62 127.44 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.15 -176.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.69 130.13 46.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.21 135.31 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.57 10.09 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.77 -156.2 51.63 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.25 -56.9 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 111.206 172.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.191 179.705 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.813 0.34 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.59 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 173.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.22 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.42 115.95 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.91 99.21 5.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.69 125.97 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.201 -174.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.75 72.83 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 173.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.19 150.53 21.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.176 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -90.23 -3.5 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.86 158.33 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.37 11.7 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.39 21.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 111.2 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.2 125.61 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 170.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.66 122.96 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.162 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.72 107.92 0.95 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 173.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.416 ' HB2' HD22 ' Y' ' 34' ' ' LEU . 39.0 mt -112.09 123.92 51.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 111.18 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.43 126.16 41.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.6 t -112.27 121.34 64.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 177.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.61 46.5 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.75 -149.8 26.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.27 119.87 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.195 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 -176.218 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.596 ' HA ' ' OE1' ' B' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.838 0.351 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.05 34.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 tp -129.39 118.43 22.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.219 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.1 t -127.37 128.75 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.1 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.44 111.5 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 173.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.23 14.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.239 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.49 115.95 31.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.95 99.25 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.66 125.99 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.229 -174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.75 72.82 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -98.21 150.52 21.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 111.263 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.23 -3.54 57.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.195 176.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.34 44.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.93 -141.31 11.66 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -171.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.15 151.35 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.22 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.11 125.62 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 170.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.72 122.96 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -169.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.9 0.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -112.04 123.92 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 111.215 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.43 126.26 42.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.168 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 82.9 t -112.29 121.29 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.55 46.48 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.65 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.35 119.88 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.176 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -176.178 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.602 ' HA ' ' OE1' ' C' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.783 0.325 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.08 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.401 HD13 HD23 ' F' ' 17' ' ' LEU . 45.7 tp -129.46 118.44 22.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.257 176.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -127.39 128.74 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.252 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.34 121.09 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -175.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.53 111.47 23.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 173.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.24 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.39 115.9 31.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.92 99.26 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.69 125.93 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.251 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.66 72.89 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.16 150.56 21.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.2 -3.57 57.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.213 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.91 158.36 44.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.233 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.94 -141.34 11.68 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -171.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.32 21.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.15 125.62 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.242 170.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.62 122.95 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.236 -169.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.7 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.09 123.95 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.155 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.51 126.15 41.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.16 121.27 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.254 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.91 139.61 46.56 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.69 25.89 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.33 119.85 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.241 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 -176.113 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.598 ' HA ' ' OE1' ' D' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.13 34.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.5 22.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.47 128.75 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.37 121.04 32.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.39 111.51 23.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.262 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.28 106.25 14.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.98 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.211 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.96 99.29 5.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.76 125.92 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.75 72.83 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.17 150.55 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 111.221 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.29 -3.5 57.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.4 44.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.99 -141.3 11.63 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.38 21.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.19 125.54 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.59 122.95 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.241 -169.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.91 0.95 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' G' ' 34' ' ' LEU . 39.3 mt -112.09 123.99 51.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.52 126.27 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.3 121.32 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.98 139.53 46.42 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.65 -149.72 25.94 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -113.38 119.95 62.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.219 -176.176 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' E' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.816 0.341 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.6 123.16 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.42 118.48 22.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.48 128.85 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.38 121.02 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.38 111.55 24.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.275 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.22 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.45 115.91 31.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.87 99.23 5.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.67 125.97 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.212 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.89 28.66 72.87 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 173.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.1 150.56 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 111.234 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.31 -3.49 57.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.181 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.28 44.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.26 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.88 -141.32 11.68 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.11 151.32 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 111.228 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -118.09 125.6 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 170.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 122.94 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.96 0.96 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 mt -112.13 123.97 51.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 111.236 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.53 126.27 41.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 82.4 t -112.32 121.37 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.97 139.56 46.44 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.67 25.87 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.35 119.93 62.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.34 . . . . 0.0 111.172 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -176.136 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' F' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.815 0.341 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.49 123.1 35.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.243 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.401 HD23 HD13 ' C' ' 17' ' ' LEU . 45.6 tp -129.39 118.4 22.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 75.1 t -127.35 128.71 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.12 33.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.49 111.58 24.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.29 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.98 31.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.199 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.87 99.21 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -128.71 125.98 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.65 72.9 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.1 150.59 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.221 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.31 -3.51 57.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.37 44.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.28 11.61 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -171.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.32 21.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.211 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.15 125.62 74.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 170.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.65 122.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.94 0.95 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 38.7 mt -112.08 123.85 51.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 111.234 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.4 126.22 42.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.255 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.25 121.28 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.195 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.9 139.53 46.54 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.69 -149.71 25.92 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.27 119.88 61.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 -176.269 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.596 ' HA ' ' OE1' ' G' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.851 0.357 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.56 123.06 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.46 118.51 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.45 128.75 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.255 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.0 32.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.5 23.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.22 106.17 14.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.38 115.9 31.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.219 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.85 99.24 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -128.72 125.9 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.18 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 28.65 72.87 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.09 150.64 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.2 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.33 -3.54 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.98 158.31 44.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.92 -141.33 11.68 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.36 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 111.241 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.17 125.57 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.211 170.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.59 123.0 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 107.94 0.95 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.413 HD22 ' HB2' ' J' ' 34' ' ' LEU . 39.1 mt -112.14 123.93 51.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 111.178 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.49 126.17 41.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 82.8 t -112.22 121.22 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.88 139.61 46.61 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.77 -149.66 25.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 79.3 t -113.37 119.88 61.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.132 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.199 -1.604 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.262 -176.28 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' H' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.55 123.06 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.193 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 tp -129.39 118.52 22.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 76.2 t -127.47 128.73 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 121.14 33.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.44 111.51 23.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.29 106.13 14.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.38 115.84 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.283 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.83 99.33 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -128.74 125.95 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.79 28.62 72.95 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.56 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 111.188 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.18 -3.65 57.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.78 158.41 44.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.219 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.03 -141.33 11.65 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -171.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.34 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.13 125.68 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 170.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.72 122.99 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -170.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.69 107.87 0.95 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 173.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.07 123.85 51.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.231 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.42 126.21 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.2 121.31 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.6 46.59 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.75 25.97 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 78.8 t -113.35 119.93 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.507 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.199 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.601 ' HA ' ' OE1' ' I' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.855 0.36 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.49 123.09 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.217 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.4 HD13 HD23 ' L' ' 17' ' ' LEU . 45.5 tp -129.47 118.48 22.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 176.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.37 128.72 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.262 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.03 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.257 -175.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.55 24.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.264 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.26 14.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.48 115.82 31.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.81 99.22 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.76 125.94 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -174.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.79 28.73 72.87 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.17 150.56 21.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.33 -3.43 57.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.4 44.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.35 11.67 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.29 21.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.236 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.16 125.68 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 170.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.63 122.94 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.245 -170.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.9 0.95 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.09 123.96 51.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 111.195 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.45 126.17 41.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 81.1 t -112.11 121.31 64.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.01 139.56 46.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.66 -149.7 25.91 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.28 119.92 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.141 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.201 -1.466 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -176.251 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.595 ' HA ' ' OE1' ' J' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.13 35.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.49 118.49 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 74.5 t -127.41 128.73 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.03 32.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.51 23.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.29 106.26 14.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.89 31.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.92 99.27 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 92.5 t -128.7 125.94 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -174.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.87 28.61 72.92 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.09 150.56 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.193 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.22 -3.57 57.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.22 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.87 158.36 44.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.35 11.66 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -171.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.34 21.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.16 125.63 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 170.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 123.07 70.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -169.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.96 0.95 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.413 ' HB2' HD22 ' G' ' 34' ' ' LEU . 39.3 mt -112.12 123.99 51.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 64.9 ttp -127.54 126.24 41.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 82.2 t -112.26 121.22 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.84 139.59 46.67 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.68 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 77.8 t -113.26 119.92 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 0.0 111.19 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -176.182 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' K' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.56 123.08 34.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.215 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.43 118.43 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.206 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.46 128.78 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.04 32.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.39 111.52 23.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.32 106.26 14.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.9 31.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.9 99.26 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.211 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.7 125.94 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.287 -174.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.72 72.82 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 173.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.18 150.54 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 111.196 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.22 -3.6 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.94 158.31 44.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.87 -141.4 11.74 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -171.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.42 21.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 111.22 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.23 125.64 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.69 123.02 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 107.91 0.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 39.4 mt -112.1 123.92 51.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.134 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.21 42.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.21 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 82.4 t -112.25 121.35 64.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.06 139.61 46.33 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.68 -149.67 25.86 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.3 119.91 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.181 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.207 -176.196 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . 0.601 ' HA ' ' OE1' ' L' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.876 0.37 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.13 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.4 HD23 HD13 ' I' ' 17' ' ' LEU . 45.5 tp -129.44 118.52 22.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 176.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -127.52 128.79 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.42 121.05 32.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.43 111.51 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.31 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.52 115.97 31.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.96 99.29 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.73 125.94 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.25 -174.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.7 72.87 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.56 21.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.768 0.318 . . . . 0.0 111.233 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.22 -3.56 57.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.34 44.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.88 -141.34 11.69 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -171.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.18 151.29 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 111.193 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.07 125.59 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 170.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.6 122.99 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.9 0.95 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.11 123.89 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.25 42.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.192 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 82.3 t -112.21 121.39 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.02 139.61 46.39 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.76 -149.77 25.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.23 119.93 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 111.2 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -176.222 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . 0.592 ' HA ' ' OE1' ' M' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.784 0.326 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.06 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.48 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.38 128.73 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.221 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.31 121.03 32.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.53 24.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.19 106.22 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.46 115.91 31.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.82 99.28 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.74 125.98 64.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.68 72.89 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 173.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.13 150.53 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 111.191 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.15 -3.59 57.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.35 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 -141.34 11.69 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -171.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.1 151.41 21.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 0.0 111.248 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.16 125.67 74.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 170.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.63 122.92 70.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -169.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.75 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.414 HD22 ' HB2' ' P' ' 34' ' ' LEU . 38.9 mt -112.07 123.95 51.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 111.191 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.49 126.29 41.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 82.1 t -112.29 121.32 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.61 46.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.78 -149.7 25.89 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.27 119.89 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 111.223 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.246 -176.248 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . 0.602 ' HA ' ' OE1' ' N' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.787 0.327 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.59 123.1 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.206 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.38 118.44 22.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.213 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.39 128.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.228 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.41 121.04 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.167 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.53 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 173.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.25 14.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.96 31.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.93 99.32 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.7 125.92 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.77 72.82 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.19 150.51 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.18 -3.56 57.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.4 44.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.01 -141.29 11.62 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -171.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.18 151.41 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 111.169 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.19 125.61 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.54 123.04 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.233 -170.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.76 107.95 0.95 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.15 123.92 51.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 111.188 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.46 126.21 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.212 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.23 121.28 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.91 139.56 46.54 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.75 -149.72 25.92 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 77.9 t -113.28 119.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.183 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.199 -1.585 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.227 -176.212 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . 0.598 ' HA ' ' OE1' ' O' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.61 123.12 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.4 HD23 HD13 ' L' ' 17' ' ' LEU . 45.8 tp -129.44 118.44 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.48 128.84 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.44 121.04 32.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.5 111.58 24.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.205 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.23 14.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.214 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.49 115.99 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.91 99.25 5.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.197 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.69 125.9 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 28.74 72.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 173.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.18 150.54 21.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.684 0.278 . . . . 0.0 111.234 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.13 -3.68 57.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.253 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.84 158.31 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 -141.33 11.68 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -171.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.17 151.32 21.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.14 125.6 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 170.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.66 122.96 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 -169.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 107.93 0.95 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 mt -112.02 123.9 51.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.781 0.324 . . . . 0.0 111.224 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.43 126.24 42.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.236 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.17 121.28 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 139.62 46.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.77 -149.71 25.9 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.29 119.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 111.184 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.265 -176.241 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . 0.589 ' HA ' ' OE1' ' P' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.51 123.09 35.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 tp -129.48 118.38 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.231 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.42 128.82 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.199 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.37 120.99 32.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.42 111.5 23.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.245 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.16 106.2 14.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.93 31.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.204 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.88 99.14 5.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.73 125.93 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.192 -174.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.78 72.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 173.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.16 150.52 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.324 . . . . 0.0 111.203 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.26 -3.51 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.225 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.36 44.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.36 11.69 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.31 21.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 111.209 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.12 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.65 122.93 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.173 -169.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.88 0.95 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.414 ' HB2' HD22 ' M' ' 34' ' ' LEU . 39.0 mt -112.06 123.9 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 111.211 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.22 42.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -112.27 121.36 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.99 139.64 46.46 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.74 -149.72 25.92 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 78.0 t -113.32 119.91 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.212 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -176.195 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' Q' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.848 0.356 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.12 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.201 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.49 118.52 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -127.47 128.76 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.4 121.0 32.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 -175.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.36 111.48 23.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.252 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.34 14.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.57 115.96 31.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.88 99.21 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.232 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.67 125.89 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.91 28.67 72.84 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.19 150.56 21.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 111.153 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.24 -3.52 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.36 44.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.0 -141.33 11.66 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -171.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.3 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 111.23 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.17 125.66 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 170.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.61 122.99 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 -169.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.89 0.95 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.05 123.94 51.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 111.162 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.5 126.22 41.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.255 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 85.1 t -112.32 121.28 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 139.56 46.61 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.76 -149.76 25.97 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.26 119.92 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 111.248 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -176.145 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' R' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.809 0.338 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.61 123.11 34.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . 0.401 HD13 HD23 ' U' ' 17' ' ' LEU . 45.7 tp -129.42 118.49 22.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.209 176.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.48 128.8 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.42 121.03 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.156 -175.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.4 111.52 23.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.29 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.46 115.85 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 175.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.84 99.28 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.71 125.92 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -174.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 28.74 72.84 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.18 150.56 21.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 111.258 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -90.22 -3.57 57.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.37 44.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.97 -141.36 11.69 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -171.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.06 151.36 21.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.14 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.16 125.58 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.249 170.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.58 123.06 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -169.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.84 107.92 0.94 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 39.0 mt -112.09 123.94 51.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.196 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.52 126.24 41.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.3 121.36 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.98 139.58 46.44 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.71 -149.72 25.93 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.32 119.85 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 111.247 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.2 -1.534 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -176.162 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' S' S ' 15' ' ' GLN . . . . . 0.584 ' HA ' ' OE1' ' S' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.6 123.12 34.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.237 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.4 118.55 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.51 128.72 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.08 32.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.195 -175.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.53 24.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 173.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.34 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.56 115.96 31.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.83 99.25 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -128.73 125.98 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -174.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.7 72.84 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -98.24 150.56 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.176 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.19 -3.52 57.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.94 158.32 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.98 -141.39 11.71 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -171.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.06 151.38 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 111.182 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.19 125.64 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 170.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.67 122.98 70.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -169.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.81 107.94 0.95 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' V' ' 34' ' ' LEU . 39.1 mt -112.07 123.92 51.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.786 0.326 . . . . 0.0 111.188 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.48 126.2 41.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 83.6 t -112.25 121.22 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.83 139.53 46.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.73 -149.71 25.92 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 76.7 t -113.32 119.92 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 111.26 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 -176.122 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' T' T ' 15' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' T' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.55 123.05 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.236 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.48 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 74.2 t -127.4 128.76 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.231 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.38 121.0 32.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.267 -175.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.37 111.49 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.22 106.3 14.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.204 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.55 115.9 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.22 175.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.82 99.25 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.253 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.69 125.92 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.68 72.88 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.2 150.55 21.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.233 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.13 -3.66 57.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.231 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.8 158.36 44.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.91 -141.36 11.71 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -171.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.08 151.31 21.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 111.218 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.12 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.231 170.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.57 123.05 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.247 -170.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.91 0.95 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.05 123.92 51.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.47 126.23 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 83.4 t -112.2 121.26 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.62 46.5 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.74 -149.72 25.93 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.28 119.9 61.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.773 0.321 . . . . 0.0 111.236 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -176.217 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' U' U ' 15' ' ' GLN . . . . . 0.596 ' HA ' ' OE1' ' U' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.809 0.338 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.5 123.06 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 17' ' ' LEU . . . . . 0.402 HD13 HD23 ' X' ' 17' ' ' LEU . 45.5 tp -129.36 118.5 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 176.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.5 128.72 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.218 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.35 120.99 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.36 111.52 23.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.264 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.28 14.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.95 31.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.89 99.3 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.8 125.89 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 -174.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.93 28.72 72.8 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.22 150.55 21.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.23 -3.6 57.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.4 44.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.37 11.68 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -171.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.05 151.4 21.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.782 0.325 . . . . 0.0 111.229 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.18 125.62 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.63 123.0 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -169.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.14 123.96 51.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.353 . . . . 0.0 111.183 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.5 126.26 41.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.29 121.3 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 139.61 46.63 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.8 -149.66 25.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 77.3 t -113.29 119.88 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -176.179 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' V' V ' 15' ' ' GLN . . . . . 0.582 ' HA ' ' OE1' ' V' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.1 34.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.32 118.49 22.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 75.6 t -127.5 128.79 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.01 32.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.244 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.48 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.2 106.21 14.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.271 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.48 115.84 31.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.174 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.87 99.3 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.79 125.89 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.86 28.72 72.84 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.52 21.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.314 . . . . 0.0 111.205 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.26 -3.41 57.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.2 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.95 158.36 44.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.3 11.64 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.16 151.36 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.19 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 97.3 mt -118.18 125.64 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 170.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 122.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -169.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.74 107.95 0.95 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 34' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' Y' ' 34' ' ' LEU . 39.3 mt -112.08 123.91 51.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.229 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.49 126.23 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 83.3 t -112.24 121.28 64.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.211 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.88 139.6 46.61 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.78 -149.83 26.07 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.18 119.85 61.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 111.254 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -176.218 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' W' W ' 15' ' ' GLN . . . . . 0.597 ' HA ' ' OE1' ' W' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.728 0.299 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.61 123.09 34.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 tp -129.36 118.41 22.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 76.0 t -127.41 128.79 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.31 121.09 32.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.5 23.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 173.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.3 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.52 115.9 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.85 99.3 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.75 125.91 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.258 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.8 72.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.21 150.5 21.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.345 . . . . 0.0 111.172 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.16 -3.63 57.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.206 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.88 158.38 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.28 11.63 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.15 151.39 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.22 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.22 125.54 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 170.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.64 122.98 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.7 107.95 0.95 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 173.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.1 123.88 51.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.748 0.309 . . . . 0.0 111.209 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.42 126.29 42.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -112.33 121.3 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.64 46.61 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 77.2 t -113.26 119.89 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 111.234 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -176.204 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' GLN . . . . . 0.593 ' HA ' ' OE1' ' X' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.48 123.1 35.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.402 HD23 HD13 ' U' ' 17' ' ' LEU . 45.7 tp -129.39 118.49 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 176.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -127.52 128.75 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 120.96 32.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.187 -175.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.32 111.44 23.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.264 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.21 106.26 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.229 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.44 115.91 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.94 99.26 5.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.72 125.93 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.21 -174.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.7 72.84 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.21 150.57 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.207 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.19 -3.57 57.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.88 158.41 44.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.05 -141.37 11.67 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -171.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.05 151.34 21.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 111.24 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.14 125.64 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.68 123.01 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 -169.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.76 107.88 0.95 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 173.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.03 123.93 51.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 111.213 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 64.9 ttp -127.55 126.29 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -112.22 121.31 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.132 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 139.56 46.53 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.66 -149.74 25.96 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.29 119.92 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.201 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -176.228 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' Y' Y ' 15' ' ' GLN . . . . . 0.581 ' HA ' ' OE1' ' Y' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.924 0.393 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.13 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 tp -129.46 118.41 22.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.38 128.72 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.237 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 121.0 32.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.6 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.28 106.27 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.47 115.88 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.85 99.27 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.76 125.94 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -174.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 28.74 72.84 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 173.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.11 150.56 21.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.192 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.25 -3.57 57.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.4 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.205 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.03 -141.33 11.65 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -171.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.39 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 111.273 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -118.19 125.63 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 170.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.67 123.07 70.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 107.98 0.95 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 34' ' ' LEU . . . . . 0.418 ' HB2' HD22 ' V' ' 34' ' ' LEU . 38.9 mt -112.11 123.91 51.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.334 . . . . 0.0 111.195 -178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.47 126.2 41.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.2 121.34 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.9 139.5 46.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.75 25.97 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 77.5 t -113.24 119.87 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.23 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.145 -176.172 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' Z' Z ' 15' ' ' GLN . . . . . 0.595 ' HA ' ' OE1' ' Z' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.852 0.358 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.57 123.11 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.39 118.44 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.233 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -127.43 128.73 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.05 32.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.219 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.59 24.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.33 106.24 14.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.44 115.86 31.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.228 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.86 99.34 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.209 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.79 125.9 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 -174.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.73 72.86 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.14 150.62 21.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.737 0.303 . . . . 0.0 111.193 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.29 -3.55 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.38 44.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.29 11.64 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -171.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.35 21.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.21 125.68 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 170.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.66 122.97 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.99 0.95 Allowed Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 mt -112.09 123.95 51.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.52 126.15 41.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.224 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.19 121.28 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.81 139.56 46.71 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.7 -149.77 25.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.27 119.93 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.272 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -176.112 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.82 0.343 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.56 123.13 35.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 tp -129.39 118.46 22.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.24 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.47 128.78 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.41 121.04 32.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.37 111.57 24.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.33 106.19 14.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.37 115.94 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.94 99.28 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 93.0 t -128.71 125.92 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.75 72.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 173.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.24 150.61 21.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 111.13 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.27 -3.55 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.166 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.86 158.37 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.36 11.69 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -171.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.14 151.29 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.13 125.62 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.196 170.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.65 122.97 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.74 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.09 123.99 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.185 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.48 126.13 41.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.264 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.2 121.34 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.97 139.57 46.45 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.72 25.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.33 119.88 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.196 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.255 -176.226 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.743 0.306 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.9 124.78 53.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 175.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.59 17.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.91 26.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.43 110.14 19.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.9 t -121.01 117.9 54.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 -172.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.72 3.15 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 170.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 t -136.92 147.58 46.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.191 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.97 -15.29 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.256 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -131.0 154.55 48.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.68 42.54 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.25 162.52 12.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.173 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.71 113.02 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.55 108.92 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.17 136.01 8.14 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.52 133.65 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 111.261 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.05 176.26 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 172.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -108.66 -61.22 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.175 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.81 25.38 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.29 16.12 65.22 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.26 153.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 111.226 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.213 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.44 126.33 22.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.91 131.22 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.63 106.82 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.22 111.03 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.216 -170.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.92 124.81 53.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.62 17.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.241 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.4 136.84 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.42 110.19 19.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 81.0 t -121.0 117.88 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.257 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.51 62.69 3.16 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.82 147.55 46.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.9 -15.5 58.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.82 154.67 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.67 42.51 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.23 162.64 12.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.345 . . . . 0.0 111.155 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -100.75 113.03 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.55 108.88 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 -173.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.07 8.18 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.441 HD13 HD23 ' E' ' 34' ' ' LEU . 39.6 tp -129.52 133.72 47.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 173.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.17 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -108.69 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.81 25.37 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.37 16.05 65.19 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -79.29 153.43 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.194 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.245 179.166 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.41 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.94 131.16 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -105.55 106.85 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.29 110.98 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 -170.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.96 124.87 53.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.157 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.64 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.88 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.219 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.47 110.25 19.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 83.9 t -121.05 117.98 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 -172.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.45 62.76 3.14 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.82 147.59 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 0.0 111.183 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.08 -15.32 58.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.88 154.63 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.65 42.49 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.68 12.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 0.0 111.229 -177.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.81 113.0 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.52 108.98 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.08 8.18 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.56 133.67 47.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 173.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.22 9.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -108.65 -61.17 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.27 -165.92 25.35 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.42 16.06 65.07 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -79.23 153.37 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 111.275 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 179.183 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.779 0.323 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.48 126.32 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.249 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -107.94 131.31 54.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 68.8 t -105.71 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -116.34 111.05 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 -170.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.93 124.82 53.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.59 17.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.211 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.32 136.86 26.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.247 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.17 19.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 81.6 t -121.03 117.87 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 -172.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.57 62.73 3.13 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 170.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.86 147.54 46.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.749 0.309 . . . . 0.0 111.196 -175.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.04 -15.31 58.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.9 154.63 47.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.248 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.69 161.66 42.54 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.24 162.57 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 111.283 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -100.75 113.09 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.5 108.95 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.183 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.24 135.96 8.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.49 133.69 47.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 111.215 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.15 9.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.241 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.66 -61.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.26 -165.77 25.38 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.26 16.12 65.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.23 153.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 111.222 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.181 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.356 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.38 22.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.232 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.93 131.25 54.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.6 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.34 111.0 19.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 -170.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.89 124.8 53.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.235 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.66 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.38 136.9 26.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.47 110.22 19.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 81.7 t -121.04 117.9 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -172.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.69 3.16 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 170.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.85 147.55 46.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.97 -15.44 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.155 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.85 154.68 47.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.212 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.73 161.66 42.45 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.63 12.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.263 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.69 113.03 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.56 108.89 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.2 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.03 8.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.443 HD13 HD23 ' H' ' 34' ' ' LEU . 39.2 tp -129.48 133.81 47.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.136 173.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.23 176.14 9.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.183 172.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 90.1 t -108.54 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.216 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.78 25.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.26 16.17 65.17 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.31 153.37 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 111.19 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.292 179.094 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.76 0.314 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.44 22.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.97 131.29 54.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -105.58 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.31 110.96 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 -170.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.86 124.86 53.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.202 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.59 16.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.201 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.92 26.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.46 110.1 19.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 82.2 t -120.93 117.97 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -172.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.43 62.76 3.14 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.55 46.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 0.0 111.218 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.31 58.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.9 154.66 47.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.69 42.54 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.58 12.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.749 0.309 . . . . 0.0 111.261 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.68 112.99 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.55 108.96 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 -173.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.46 133.67 47.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 111.2 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.07 176.18 9.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.259 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.65 -61.19 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.25 -165.87 25.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.03 65.27 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.17 153.45 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 111.233 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.212 179.14 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.749 0.309 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.44 126.42 22.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.98 131.22 54.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 69.4 t -105.59 106.77 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 175.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.24 110.93 19.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.86 124.82 53.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.244 175.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.79 125.63 17.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.236 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.41 136.91 26.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.45 110.21 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -121.06 118.02 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.41 62.7 3.17 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 170.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.79 147.59 46.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 111.254 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.38 58.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.8 154.65 47.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.74 161.74 42.51 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.6 12.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.185 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.75 113.04 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 -173.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.29 135.95 8.09 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.5 133.71 47.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 111.209 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.06 176.19 9.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.67 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.22 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.76 25.38 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.34 16.04 65.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.22 153.33 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.203 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.49 126.41 22.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.01 131.31 54.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -105.66 106.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.27 110.99 19.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.93 124.77 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.59 17.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.256 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.36 136.93 26.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.47 110.17 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 82.8 t -120.96 117.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.51 62.69 3.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 170.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.89 147.62 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 111.123 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.09 -15.3 58.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.234 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.87 154.62 47.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.74 42.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.56 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 111.206 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.72 113.08 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.56 108.99 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.95 8.09 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.443 HD23 HD13 ' E' ' 34' ' ' LEU . 39.3 tp -129.48 133.74 47.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 111.183 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.16 176.12 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 172.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 88.6 t -108.6 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.33 -165.79 25.39 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.09 65.2 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.25 153.38 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.322 . . . . 0.0 111.192 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 179.14 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.737 0.303 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.52 126.39 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.24 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.91 131.25 54.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -105.64 106.77 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.19 111.03 19.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.268 -170.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.97 124.84 53.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.64 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.9 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.46 110.14 19.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 82.1 t -120.99 117.88 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.233 -172.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.62 62.73 3.12 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 170.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.92 147.55 46.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 -175.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.01 -15.44 58.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.85 154.67 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.66 161.7 42.63 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.29 162.67 12.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 0.0 111.24 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -100.72 112.96 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.276 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 -173.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.0 8.13 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.45 133.63 47.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 111.263 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.08 176.17 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.257 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.57 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.21 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.79 25.38 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.04 65.23 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.18 153.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 111.206 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.155 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.42 126.4 22.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.238 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.97 131.29 54.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.68 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.19 110.92 19.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.239 -170.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.88 124.83 53.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.228 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.78 125.61 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 174.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.4 136.89 26.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.205 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.46 110.21 19.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 81.3 t -121.02 117.88 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -172.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.82 3.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.9 147.6 46.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.759 0.314 . . . . 0.0 111.223 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.05 -15.37 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.6 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.65 161.74 42.69 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.33 162.54 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.179 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.1 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.56 108.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 -173.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.07 8.17 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.61 133.67 47.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.197 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.23 9.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 172.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -108.66 -61.3 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.35 -165.84 25.39 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.38 16.05 65.16 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -79.22 153.4 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 111.187 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.191 179.163 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.853 0.359 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.35 22.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.91 131.28 54.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.265 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -105.62 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.06 19.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -170.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.99 124.84 53.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.55 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.281 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.28 136.92 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.178 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.44 110.14 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.97 117.88 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 -172.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.8 3.12 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.9 147.61 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 111.182 -175.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.07 -15.38 58.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.61 47.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.64 42.51 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.61 12.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.76 113.06 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.57 108.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 -173.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.05 8.16 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.441 HD23 HD13 ' H' ' 34' ' ' LEU . 39.4 tp -129.55 133.7 47.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.186 173.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.11 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.64 -61.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.251 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.22 -165.82 25.36 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.32 16.08 65.24 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.22 153.39 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.181 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.144 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.783 0.325 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.54 126.41 22.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.224 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 46.2 mt -107.94 131.27 54.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.199 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 68.1 t -105.66 106.94 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.38 110.92 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.205 -170.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.83 124.8 53.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.229 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 125.56 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 174.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.29 136.88 26.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -113.51 110.18 19.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 80.1 t -120.94 117.86 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 -172.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.81 3.11 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.95 147.57 46.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 111.138 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.36 58.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.72 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.233 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.7 42.55 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.36 162.54 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.06 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.53 108.94 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -173.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.04 8.16 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 39.4 tp -129.52 133.72 47.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 111.172 173.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.17 176.17 9.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 172.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.7 -61.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.21 -165.84 25.35 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.28 16.16 65.16 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.28 153.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.137 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.32 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.232 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.91 131.17 54.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -105.59 106.92 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.39 111.08 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -170.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -111.91 124.92 53.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.201 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.89 125.63 16.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 174.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.37 136.92 26.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.53 110.17 19.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 81.2 t -120.96 117.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.55 62.68 3.15 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.84 147.55 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 111.23 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.9 -15.48 58.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.252 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.85 154.6 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.212 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.68 161.7 42.6 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.66 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.138 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.78 113.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.58 108.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.213 -173.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 135.97 8.11 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.49 133.75 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 111.097 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.14 176.25 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.74 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.29 -165.83 25.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.01 65.36 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.21 153.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.212 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.2 -1.548 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.226 179.165 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.777 0.323 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.41 126.35 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.97 131.36 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.6 106.85 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 175.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.31 111.07 19.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -170.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.98 124.88 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.92 125.67 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 173.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.91 26.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.204 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.53 110.25 19.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.207 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 81.4 t -120.99 117.97 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.213 -172.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.71 3.16 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.86 147.51 46.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 -175.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.97 -15.36 58.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.91 154.59 47.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.73 42.72 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 162.61 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -177.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.76 113.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.58 108.86 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -173.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.08 8.18 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.438 HD23 HD13 ' K' ' 34' ' ' LEU . 39.5 tp -129.54 133.63 47.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 173.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.09 176.23 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 172.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.66 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.83 25.36 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.09 65.13 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.25 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.167 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.83 0.348 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.45 126.4 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.9 131.15 54.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -105.51 106.82 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 175.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.26 111.06 19.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.211 -170.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -111.97 124.82 53.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.69 17.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.4 136.85 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.228 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.45 110.15 19.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.192 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.0 117.9 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -172.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.63 3.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 170.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.55 46.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.235 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.98 -15.47 58.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.8 154.63 47.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.267 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.73 42.69 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.63 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.821 0.344 . . . . 0.0 111.199 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.83 113.09 35.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.61 109.05 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.32 135.98 8.11 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.47 133.73 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 0.0 111.196 173.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.16 176.2 9.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -108.64 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.23 -165.91 25.34 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.37 16.18 64.92 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.33 153.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.205 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.502 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 179.179 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.34 22.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.92 131.26 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.25 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.65 106.87 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.37 111.06 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -170.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -111.91 124.82 53.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.224 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.78 125.73 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 173.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.43 136.87 26.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.45 110.21 19.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.04 117.95 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.44 62.78 3.14 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.87 147.57 46.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.4 58.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.202 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.92 154.67 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.65 42.64 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.29 162.63 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.718 0.294 . . . . 0.0 111.218 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.7 113.08 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.56 108.87 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.51 133.69 47.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.196 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.17 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -108.67 -61.11 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.19 -165.85 25.34 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.41 16.09 65.03 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.31 153.35 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.791 0.329 . . . . 0.0 111.183 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--O 1.201 -1.449 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.787 0.327 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.36 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.94 131.24 54.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.276 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -105.55 106.73 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.23 110.91 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 -170.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.86 124.81 53.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.231 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.65 17.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.274 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.41 136.86 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.217 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.14 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 82.7 t -120.93 117.91 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 -172.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.81 3.12 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 170.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.86 147.53 46.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.774 0.321 . . . . 0.0 111.18 -175.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.95 -15.5 58.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.78 154.61 47.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.23 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.62 161.74 42.76 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.61 12.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.321 . . . . 0.0 111.222 -177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.74 113.07 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.202 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.57 108.86 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.239 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.26 135.95 8.1 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . 0.439 HD13 HD23 ' T' ' 34' ' ' LEU . 39.4 tp -129.49 133.73 47.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 173.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.2 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.176 172.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 89.4 t -108.69 -61.03 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.251 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.16 -165.83 25.34 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.34 16.06 65.24 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.29 153.41 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.855 0.359 . . . . 0.0 111.206 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.246 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.38 22.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.95 131.19 54.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.55 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.26 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.26 110.98 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 -170.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.94 124.89 53.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 125.64 17.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 174.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.34 136.85 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.4 110.15 19.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.03 117.95 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.183 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.44 62.73 3.15 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.88 147.59 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.92 -15.46 58.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.193 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.86 154.72 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.85 161.73 42.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.61 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -100.65 113.04 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.55 108.97 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -173.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.21 135.98 8.12 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.49 133.66 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 111.215 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.18 9.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 172.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 89.5 t -108.65 -61.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.32 -165.8 25.39 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.31 16.08 65.25 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.24 153.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 111.107 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.201 -1.454 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.238 179.075 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.44 22.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . . . . . . . . . 46.1 mt -108.02 131.2 54.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.58 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.32 110.99 19.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -170.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.93 124.78 53.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.227 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.77 125.7 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 173.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.89 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.41 110.07 19.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 81.9 t -120.92 117.86 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.249 -172.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.73 3.14 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 170.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 39.6 t -136.84 147.58 46.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.147 -175.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.39 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.6 47.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.212 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.59 161.65 42.73 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.63 12.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.76 113.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 175.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.01 8.13 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.47 133.7 47.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 111.198 173.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.25 9.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.68 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.86 25.35 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.14 65.03 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.28 153.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.199 -1.581 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.211 179.111 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.57 126.41 22.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.99 131.35 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.67 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.26 111.05 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 -170.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -111.96 124.82 53.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.271 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.81 125.61 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.21 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.36 136.89 26.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.15 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 82.5 t -121.01 117.89 54.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -172.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.47 62.71 3.16 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.79 147.66 46.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.1 -15.37 58.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.84 154.63 47.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.71 42.56 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.55 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 0.0 111.153 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 82.1 mt -100.74 113.08 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.186 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.52 108.94 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.212 -173.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.26 135.98 8.11 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 34' ' ' LEU . . . . . 0.445 HD13 HD23 ' W' ' 34' ' ' LEU . 39.2 tp -129.56 133.69 47.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 0.0 111.181 173.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.05 176.23 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 172.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.65 -61.21 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.246 174.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.86 25.36 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.35 16.22 64.87 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.31 153.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 111.155 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 179.124 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.849 0.357 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.42 22.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.04 131.26 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 67.5 t -105.59 106.79 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.206 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.23 111.02 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 -170.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.97 124.85 53.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.6 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 174.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.33 136.83 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.39 110.11 19.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.243 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 82.3 t -120.95 117.92 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.4 62.81 3.13 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.89 147.6 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.733 0.301 . . . . 0.0 111.199 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.97 -15.43 58.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.86 154.69 47.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.71 42.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 162.65 12.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.75 0.309 . . . . 0.0 111.187 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -100.75 113.0 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.263 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.46 108.94 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.245 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.31 136.01 8.12 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.49 133.69 47.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.321 . . . . 0.0 111.218 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.15 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.209 172.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.59 -61.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.249 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.27 -165.81 25.37 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.32 16.12 65.14 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -79.26 153.38 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.2 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 179.174 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.4 22.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.94 131.24 54.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 68.2 t -105.61 106.81 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.21 111.05 19.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.238 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -112.01 124.85 53.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.247 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.81 125.61 17.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.223 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.35 136.92 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.48 110.15 19.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -120.94 117.91 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.206 -172.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.63 3.18 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 170.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.8 147.62 46.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 111.2 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.02 -15.34 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.91 154.67 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.7 42.54 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.55 12.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.74 113.07 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.52 108.9 25.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 -173.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.29 135.96 8.1 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.43 133.68 47.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.209 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.08 176.17 9.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.61 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.83 25.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.04 65.22 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.25 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 0.0 111.187 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.135 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.841 0.353 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.41 126.39 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 mt -107.99 131.24 54.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.66 106.91 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.02 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.96 124.79 53.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.66 17.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.35 136.92 26.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -113.48 110.12 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.25 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 82.3 t -120.96 117.93 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -172.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.79 3.13 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.82 147.58 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 111.185 -175.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.06 -15.39 58.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.88 154.61 47.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.72 161.73 42.56 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.24 162.62 12.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 111.194 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.82 113.04 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.54 108.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 34' ' ' LEU . . . . . 0.449 HD13 HD23 ' Z' ' 34' ' ' LEU . 39.4 tp -129.48 133.73 47.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.768 0.318 . . . . 0.0 111.186 173.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.18 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 172.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.65 -61.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.26 -165.84 25.36 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.43 16.04 65.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.25 153.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 111.188 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.201 -1.452 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.329 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.43 126.34 22.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.257 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.93 131.18 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.195 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -105.57 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.207 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.27 111.05 19.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -111.96 124.82 53.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.242 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.62 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.32 136.85 26.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.41 110.16 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.238 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -121.0 117.95 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -172.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.55 62.69 3.15 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 170.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.84 147.61 46.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 111.24 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.39 58.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.23 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.89 154.62 47.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.67 161.71 42.62 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.6 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.233 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.7 113.03 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.246 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.54 108.92 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.22 136.05 8.16 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.56 133.69 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.204 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.15 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 172.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.65 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.29 -165.82 25.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.3 16.17 65.08 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.28 153.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.201 -1.465 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 179.069 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.804 0.335 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.42 126.36 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.95 131.23 54.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.56 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 175.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.28 111.02 19.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -112.01 124.84 53.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 175.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.62 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 173.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.38 136.98 26.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.6 110.17 19.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 82.7 t -121.01 117.97 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -172.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.39 62.73 3.16 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.84 147.59 46.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 111.214 -175.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.39 58.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.61 47.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.66 161.69 42.64 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.58 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.73 113.01 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.245 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.55 108.99 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -173.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 136.05 8.16 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.52 133.74 47.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.741 0.305 . . . . 0.0 111.252 173.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.19 9.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.6 -61.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.195 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.8 25.38 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.27 16.16 65.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.32 153.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.202 -1.442 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.182 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.332 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.52 126.41 22.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.97 131.2 54.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -105.57 106.78 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.265 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.24 111.02 19.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -170.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.95 124.88 53.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.6 17.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.43 136.89 26.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.45 110.25 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.2 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 80.7 t -121.01 117.94 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.29 -172.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.74 3.14 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.64 46.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.04 -15.36 58.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.201 175.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.9 154.69 47.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.222 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.75 161.76 42.52 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.33 162.59 12.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.246 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.06 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.57 108.89 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.16 136.01 8.14 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 34' ' ' LEU . . . . . 0.449 HD23 HD13 ' W' ' 34' ' ' LEU . 39.3 tp -129.53 133.68 47.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 173.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.09 176.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.204 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -108.68 -61.19 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.78 25.39 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.25 16.18 65.17 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.27 153.45 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.37 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.272 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.02 131.29 54.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.63 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.22 111.01 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -170.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -111.96 124.79 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.67 125.63 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.247 173.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.4 136.89 26.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.48 110.22 19.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 81.3 t -120.98 117.96 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.222 -172.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.76 3.14 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 170.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.87 147.6 46.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.07 -15.33 58.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.61 47.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.6 161.7 42.75 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.22 162.6 12.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.265 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 82.2 mt -100.75 113.05 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.55 108.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.205 -173.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 136.0 8.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -129.52 133.75 47.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 111.156 173.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.14 176.2 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 172.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 89.6 t -108.66 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.21 -165.79 25.36 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.1 65.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.23 153.41 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 0.0 111.16 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.104 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.851 0.358 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.59 111.45 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.558 ' C ' HD23 ' A' ' 17' ' ' LEU . 6.5 tt -110.29 104.46 13.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.53 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.54 117.05 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.68 115.02 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' O ' ' HA ' ' Y' ' 21' ' ' ALA . . . -142.85 130.35 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.8 143.56 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.47 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -128.14 126.41 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.13 2.81 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.38 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 111.2 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.0 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.226 166.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.85 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.39 38.67 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.79 14.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.213 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.61 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 172.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.81 119.58 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -174.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.53 3.84 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD23 HD13 ' Y' ' 34' ' ' LEU . 41.7 tp -131.33 119.87 22.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 111.256 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.57 36.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.37 127.13 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.61 125.34 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.336 . . . . 0.0 111.169 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.199 -1.563 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 177.357 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.767 0.318 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.63 111.5 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.563 HD23 ' C ' ' B' ' 17' ' ' LEU . 6.5 tt -110.36 104.44 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -116.48 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.52 117.05 33.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.63 114.97 22.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.255 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' E' ' 21' ' ' ALA . . . -142.84 130.34 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.228 175.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.76 143.51 29.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.24 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.86 112.52 14.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.207 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.3 t -128.17 126.41 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.37 62.09 2.82 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.11 -177.32 5.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.19 -51.04 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 166.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.83 158.81 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 174.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.89 -164.35 38.66 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 172.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.71 162.84 14.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.206 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.16 114.51 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.79 119.68 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -174.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 117.56 3.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.7 tp -131.4 119.87 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.203 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.21 124.64 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.45 127.09 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.5 0.49 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.62 125.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 111.195 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 177.371 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.59 111.49 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.558 ' C ' HD23 ' C' ' 17' ' ' LEU . 6.5 tt -110.35 104.44 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -116.5 101.62 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.48 117.09 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.7 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' F' ' 21' ' ' ALA . . . -142.87 130.31 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 175.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.74 143.55 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.85 112.52 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.24 126.45 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.4 62.09 2.81 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.37 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 111.152 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.06 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 166.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.8 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.37 38.65 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.66 162.78 14.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 111.199 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.17 114.55 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 172.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.79 119.59 58.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 172.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.459 HD13 HD23 ' F' ' 34' ' ' LEU . 41.5 tp -131.38 119.89 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.225 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.55 36.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.33 127.04 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.235 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.26 150.42 6.12 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.47 0.5 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.4 t -128.58 125.37 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.208 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 177.319 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.818 0.342 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.57 111.45 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.562 HD23 ' C ' ' D' ' 17' ' ' LEU . 6.5 tt -110.35 104.49 13.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.51 101.72 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.6 117.03 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.59 114.99 22.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' G' ' 21' ' ' ALA . . . -142.87 130.35 21.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.78 143.56 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.94 112.5 14.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.2 126.5 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -172.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.22 62.19 2.82 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.15 -177.38 5.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.07 -51.08 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.212 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.78 158.86 15.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.03 -164.37 38.54 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 172.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.8 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.13 114.55 46.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 172.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.78 119.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 117.6 3.86 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 172.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.463 HD13 HD23 ' G' ' 34' ' ' LEU . 41.5 tp -131.34 119.83 22.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.308 . . . . 0.0 111.222 -176.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.0 ttm -128.23 124.62 37.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.06 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 51.5 0.49 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.6 125.31 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.24 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 177.377 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.838 0.351 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.61 111.45 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.564 ' C ' HD23 ' E' ' 17' ' ' LEU . 6.5 tt -110.34 104.47 13.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.5 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.203 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.67 114.98 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 21' ' ' ALA . . . -142.84 130.39 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.179 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.57 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.9 112.5 14.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.16 126.48 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -172.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.08 -177.35 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.202 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.09 -51.09 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 166.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.81 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.31 38.62 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.7 162.81 14.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.188 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.53 45.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 172.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.74 119.65 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -173.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.61 3.86 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.401 HD13 HD23 ' H' ' 34' ' ' LEU . 41.5 tp -131.39 119.86 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 -176.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.2 124.61 37.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.1 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.37 6.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.66 125.33 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 111.18 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.199 -1.587 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 177.349 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.63 111.43 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.557 ' C ' HD23 ' F' ' 17' ' ' LEU . 6.5 tt -110.31 104.42 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.221 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.44 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.54 117.11 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.7 114.96 22.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' C' ' 21' ' ' ALA . . . -142.84 130.38 21.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.81 143.59 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.96 112.5 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' I' ' 24' ' ' VAL . 97.8 t -128.17 126.43 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -172.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.13 2.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.39 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.203 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.06 -51.07 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 166.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.84 15.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.36 38.63 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 172.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.71 162.84 14.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.228 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.21 114.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.75 119.62 58.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -174.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 172.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.463 HD13 HD23 ' I' ' 34' ' ' LEU . 41.7 tp -131.36 119.83 22.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.211 -176.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.66 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.217 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.35 127.05 56.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.252 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.18 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.72 51.52 0.49 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 97.0 t -128.65 125.27 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.228 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 177.327 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.807 0.336 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.55 111.42 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.226 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.564 ' C ' HD23 ' G' ' 17' ' ' LEU . 6.5 tt -110.3 104.43 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 66.3 t -116.46 101.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.225 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.48 117.06 33.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.69 115.02 22.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' D' ' 21' ' ' ALA . . . -142.84 130.34 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.78 143.53 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.85 112.51 14.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.23 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 -172.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.08 2.83 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.07 -177.3 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.331 . . . . 0.0 111.219 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.11 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 166.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.73 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.36 38.6 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.63 162.81 14.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.54 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.212 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.75 119.6 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.3 117.61 3.86 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 172.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' D' ' 34' ' ' LEU . 41.6 tp -131.33 119.88 22.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.775 0.322 . . . . 0.0 111.218 -176.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.61 37.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.41 127.1 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.23 150.39 6.11 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.62 51.47 0.5 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -128.59 125.33 63.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 111.166 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.199 -1.574 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 177.311 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.49 4.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.562 ' C ' HD23 ' H' ' 17' ' ' LEU . 6.5 tt -110.34 104.45 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.46 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.55 117.0 32.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.63 115.04 22.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' K' ' 21' ' ' ALA . . . -142.89 130.41 21.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 175.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.86 143.55 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.88 112.47 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.205 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 97.8 t -128.14 126.45 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.228 -172.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.27 62.19 2.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.16 -177.38 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.11 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 166.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.222 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.96 -164.34 38.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.82 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 111.235 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.18 114.57 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.22 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.72 119.58 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -173.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.59 3.86 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.403 HD13 HD23 ' K' ' 34' ' ' LEU . 41.7 tp -131.37 119.9 22.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 111.216 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.26 124.61 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.4 127.07 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.24 150.34 6.1 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.6 125.32 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.813 0.339 . . . . 0.0 111.258 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 177.382 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.79 0.328 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.61 111.45 4.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.561 HD23 ' C ' ' I' ' 17' ' ' LEU . 6.5 tt -110.32 104.44 13.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.5 101.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.57 117.01 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.65 114.98 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.168 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' F' ' 21' ' ' ALA . . . -142.81 130.34 21.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.57 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.9 112.53 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' F' ' 24' ' ' VAL . 97.8 t -128.23 126.46 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.29 62.16 2.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.16 -177.36 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.15 -50.99 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 166.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.84 15.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.36 38.62 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.325 . . . . 0.0 111.224 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.58 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.75 119.6 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.247 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.6 3.86 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' F' ' 34' ' ' LEU . 41.7 tp -131.36 119.89 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.229 -176.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.64 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -132.45 127.09 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.38 6.11 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.59 51.53 0.5 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -128.64 125.39 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 177.373 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.5 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.556 ' C ' HD23 ' J' ' 17' ' ' LEU . 6.5 tt -110.3 104.39 13.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.48 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.5 117.06 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -120.68 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' M' ' 21' ' ' ALA . . . -142.86 130.39 21.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 175.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -145.86 143.57 29.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.92 112.51 14.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 96.8 t -128.2 126.48 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 -172.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.28 62.14 2.82 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.4 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.181 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.03 -51.1 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 166.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.75 158.82 15.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.98 -164.33 38.57 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.78 14.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 111.204 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.18 114.54 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.209 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.73 119.57 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.209 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.22 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.46 HD23 HD13 ' G' ' 34' ' ' LEU . 41.5 tp -131.36 119.9 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.212 -176.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.63 37.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.41 127.05 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.25 150.34 6.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.53 0.49 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.6 125.35 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 111.205 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.229 177.328 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.821 0.343 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.64 111.47 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.564 ' C ' HD23 ' K' ' 17' ' ' LEU . 6.5 tt -110.35 104.5 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.53 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.56 117.06 33.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -120.68 115.06 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' H' ' 21' ' ' ALA . . . -142.92 130.37 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.54 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.92 112.54 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.191 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -128.24 126.44 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.32 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.198 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.08 -51.11 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 166.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.222 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.95 -164.37 38.62 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 172.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.8 14.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 111.184 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.2 114.54 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.72 119.59 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 172.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.403 HD23 HD13 ' H' ' 34' ' ' LEU . 41.5 tp -131.39 119.91 22.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.352 . . . . 0.0 111.209 -176.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.6 37.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.224 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.4 127.04 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.24 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.41 0.49 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 96.8 t -128.55 125.33 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 111.243 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 177.361 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.35 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.48 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.215 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.564 ' C ' HD23 ' L' ' 17' ' ' LEU . 6.5 tt -110.31 104.46 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -116.5 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.54 117.04 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.68 114.99 22.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' I' ' 21' ' ' ALA . . . -142.87 130.38 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.86 143.54 29.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.48 14.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' I' ' 24' ' ' VAL . 95.7 t -128.17 126.4 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.219 -172.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.3 62.18 2.81 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.35 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 111.207 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.07 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 166.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.74 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.95 -164.39 38.62 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 172.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.86 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 111.195 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -117.23 114.55 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.71 119.57 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.53 3.84 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' I' ' 34' ' ' LEU . 41.6 tp -131.3 119.9 22.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.216 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.25 124.62 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.4 127.07 56.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.68 51.48 0.49 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.6 125.3 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 177.372 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.54 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.544 ' C ' HD23 ' M' ' 17' ' ' LEU . 6.5 tt -110.35 104.39 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.46 101.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.47 117.0 32.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.249 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -120.61 114.99 22.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -142.86 130.36 21.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 175.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.53 29.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.86 112.5 14.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.16 126.42 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -172.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.15 2.81 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.13 -177.41 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 111.249 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.05 -51.08 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.8 158.88 15.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.177 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.01 -164.29 38.52 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 172.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.74 162.81 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 111.2 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.19 114.52 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 172.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.76 119.65 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.463 HD13 HD23 ' P' ' 34' ' ' LEU . 41.6 tp -131.4 119.85 22.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -176.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.22 124.66 37.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.44 127.06 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.32 6.08 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.73 51.46 0.49 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.59 125.33 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.19 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 177.322 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.832 0.348 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.66 111.47 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.556 HD23 ' C ' ' N' ' 17' ' ' LEU . 6.5 tt -110.32 104.45 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.23 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.45 101.68 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.53 116.99 32.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.246 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -120.6 115.03 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' K' ' 21' ' ' ALA . . . -142.9 130.35 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 175.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.51 29.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.89 112.5 14.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.16 126.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.29 62.1 2.83 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.36 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 111.201 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.14 -51.12 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 166.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.73 158.87 15.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.0 -164.41 38.59 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.61 162.82 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 111.223 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.19 114.53 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.76 119.64 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.6 3.85 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 172.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.403 HD23 HD13 ' K' ' 34' ' ' LEU . 41.6 tp -131.39 119.9 22.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.195 -176.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.3 124.64 37.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.37 127.11 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.217 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.17 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.57 125.32 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 177.293 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.774 0.321 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.6 111.47 4.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.557 ' C ' HD23 ' O' ' 17' ' ' LEU . 6.5 tt -110.33 104.48 13.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.5 101.69 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.51 117.05 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.63 115.0 22.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' L' ' 21' ' ' ALA . . . -142.87 130.36 21.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 175.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.79 143.49 29.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.83 112.55 14.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 97.8 t -128.21 126.44 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 -172.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.28 62.17 2.81 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -144.15 -177.32 5.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.153 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.12 -51.09 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 166.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.73 158.86 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 174.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.38 38.6 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.82 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 111.204 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.74 119.58 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -174.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.24 117.54 3.84 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.462 HD23 HD13 ' L' ' 34' ' ' LEU . 41.5 tp -131.37 119.89 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.34 . . . . 0.0 111.201 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.22 124.64 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.37 127.08 56.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.235 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.34 6.09 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.54 0.49 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.62 125.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 111.196 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 177.335 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.806 0.336 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.53 111.49 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.553 HD23 ' C ' ' P' ' 17' ' ' LEU . 6.5 tt -110.31 104.41 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.43 101.69 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 176.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.56 117.07 33.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.65 115.0 22.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' S' ' 21' ' ' ALA . . . -142.85 130.41 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.57 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.237 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.89 112.51 14.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 95.6 t -128.19 126.47 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.31 62.19 2.8 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.19 -177.39 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.173 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.09 -51.03 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 166.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.02 -164.34 38.54 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.78 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.17 114.55 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 172.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.77 119.57 58.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.262 -174.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.23 117.61 3.87 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.464 HD13 HD23 ' S' ' 34' ' ' LEU . 41.4 tp -131.37 119.88 22.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 111.197 -176.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.23 124.61 37.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.34 127.11 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.18 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.62 51.5 0.49 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.6 125.36 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.201 -1.498 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 177.339 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.65 111.51 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . 0.544 ' C ' HD23 ' Q' ' 17' ' ' LEU . 6.5 tt -110.31 104.47 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -116.5 101.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.47 117.05 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.66 115.02 22.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' N' ' 21' ' ' ALA . . . -142.87 130.38 21.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.214 175.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.55 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.88 112.51 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.19 126.47 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.25 62.12 2.83 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.08 -177.4 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.324 . . . . 0.0 111.23 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.04 -51.09 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 166.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.76 158.83 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.97 -164.33 38.58 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.82 14.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 111.235 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.21 114.52 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 90.2 mt -122.72 119.6 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -173.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . 0.401 HD23 HD13 ' N' ' 34' ' ' LEU . 41.5 tp -131.41 119.89 22.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.207 -176.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.28 124.64 37.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.38 127.06 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.209 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.73 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -174.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.63 125.35 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.195 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.232 177.356 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.787 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.57 111.47 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . 0.546 ' C ' HD23 ' R' ' 17' ' ' LEU . 6.5 tt -110.36 104.49 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.51 101.64 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.52 117.09 33.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.67 114.99 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -142.86 130.41 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 175.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.81 143.59 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.92 112.48 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.218 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.16 126.43 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -172.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.3 62.11 2.82 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.08 -177.33 5.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.181 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.17 -51.0 3.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.213 166.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.82 158.77 15.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.38 38.65 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 172.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.63 162.77 14.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.798 0.333 . . . . 0.0 111.178 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.18 114.52 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 172.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.7 119.62 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.57 3.85 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 172.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.458 HD23 HD13 ' O' ' 34' ' ' LEU . 41.6 tp -131.35 119.82 22.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.232 -176.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.63 37.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.224 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.42 127.08 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.21 150.31 6.08 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.5 0.49 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.57 125.33 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 111.199 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 177.331 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.64 111.48 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 0.56 HD23 ' C ' ' S' ' 17' ' ' LEU . 6.5 tt -110.37 104.47 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -116.52 101.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.48 117.03 32.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.64 115.01 22.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.217 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' P' ' 21' ' ' ALA . . . -142.89 130.38 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 175.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.56 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.236 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.55 14.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.18 126.43 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -172.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.35 62.11 2.81 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.09 -177.37 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.309 . . . . 0.0 111.219 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -104.13 -51.08 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 166.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.72 158.82 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.33 38.6 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.81 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.17 114.56 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 172.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.76 119.58 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -173.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.28 117.54 3.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.465 HD13 HD23 ' V' ' 34' ' ' LEU . 41.6 tp -131.35 119.83 22.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 0.0 111.214 -176.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.23 124.69 37.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.45 127.1 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.23 150.36 6.1 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.45 0.49 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -174.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -128.54 125.3 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.264 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.501 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 177.37 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.327 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.62 111.45 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 17' ' ' LEU . . . . . 0.545 ' C ' HD23 ' T' ' 17' ' ' LEU . 6.5 tt -110.34 104.46 13.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.47 101.61 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -105.48 117.08 33.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.208 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -120.67 114.95 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 21' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' Q' ' 21' ' ' ALA . . . -142.86 130.34 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -145.79 143.53 29.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.87 112.54 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.19 126.45 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.34 62.11 2.82 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.1 -177.36 5.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.328 . . . . 0.0 111.19 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.14 -51.04 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 166.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.84 15.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.93 -164.36 38.63 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.81 14.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 111.211 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.63 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 172.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.77 119.6 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.27 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 41.7 tp -131.35 119.85 22.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 111.236 -176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.17 124.62 37.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.4 127.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.193 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.35 6.1 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.66 51.58 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 97.2 t -128.66 125.29 63.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 177.341 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.57 111.48 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.246 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 17' ' ' LEU . . . . . 0.555 HD23 ' C ' ' U' ' 17' ' ' LEU . 6.5 tt -110.28 104.45 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.54 101.68 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.66 115.01 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 21' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' R' ' 21' ' ' ALA . . . -142.85 130.37 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 175.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.82 143.52 29.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -128.9 112.52 14.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 97.4 t -128.16 126.44 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.09 2.82 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.1 -177.37 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.205 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.05 -51.06 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 166.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.81 158.8 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.92 -164.31 38.61 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 172.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.7 162.81 14.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.18 114.5 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.268 172.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.71 119.62 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.3 117.55 3.84 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 34' ' ' LEU . . . . . 0.453 HD23 HD13 ' R' ' 34' ' ' LEU . 41.7 tp -131.36 119.88 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 111.221 -176.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.58 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -132.38 127.11 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.3 6.08 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.6 125.34 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 111.199 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 177.355 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.333 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -148.61 111.43 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 17' ' ' LEU . . . . . 0.563 ' C ' HD23 ' V' ' 17' ' ' LEU . 6.5 tt -110.3 104.45 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -116.47 101.7 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.5 117.01 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -120.65 115.0 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 21' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' S' ' 21' ' ' ALA . . . -142.87 130.34 21.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 175.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.55 29.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.48 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.235 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.15 126.47 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -172.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.22 62.18 2.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -144.11 -177.37 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.212 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.13 -51.03 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 166.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.86 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.98 -164.38 38.6 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.67 162.84 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.182 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.19 114.52 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.74 119.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.26 117.55 3.84 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 34' ' ' LEU . . . . . 0.465 HD23 HD13 ' S' ' 34' ' ' LEU . 41.7 tp -131.31 119.88 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 111.235 -176.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.66 37.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.36 127.12 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.16 150.3 6.08 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.69 51.51 0.49 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -128.61 125.31 63.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 111.208 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 177.36 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.67 111.53 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 17' ' ' LEU . . . . . 0.549 ' C ' HD23 ' W' ' 17' ' ' LEU . 6.5 tt -110.42 104.45 13.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.42 101.64 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.207 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.5 117.05 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.65 114.99 22.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 21' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' T' ' 21' ' ' ALA . . . -142.88 130.38 21.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.84 143.56 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.87 112.44 14.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.15 126.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.11 2.82 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.13 -177.41 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 111.21 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.06 -51.11 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 166.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.79 158.79 15.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 174.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.91 -164.37 38.65 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 172.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.68 162.76 14.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.322 . . . . 0.0 111.209 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.12 114.54 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.73 119.61 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 -174.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 117.56 3.84 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 tp -131.34 119.84 22.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.765 0.317 . . . . 0.0 111.212 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.18 124.61 37.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.45 127.1 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.19 150.33 6.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.7 51.49 0.49 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.6 125.31 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.182 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 177.307 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.792 0.33 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.55 111.47 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.558 ' C ' HD23 ' X' ' 17' ' ' LEU . 6.5 tt -110.32 104.48 13.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.217 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -116.49 101.59 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.48 117.03 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.222 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.63 114.99 22.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' ALA . . . -142.85 130.41 21.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.183 175.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.87 143.53 29.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.9 112.53 14.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.23 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -172.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 62.18 2.8 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.15 -177.33 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.347 . . . . 0.0 111.185 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.16 -51.02 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.233 166.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.77 158.81 15.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.96 -164.37 38.61 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.82 14.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 111.181 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -117.2 114.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.74 119.56 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.24 117.55 3.85 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 172.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 34' ' ' LEU . . . . . 0.449 HD13 HD23 ' A' ' 34' ' ' LEU . 41.5 tp -131.34 119.94 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.202 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.31 124.6 36.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 99.5 t -132.34 127.09 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.65 51.49 0.49 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.62 125.33 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 111.198 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 177.352 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.6 111.51 4.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 17' ' ' LEU . . . . . 0.56 ' C ' HD23 ' Y' ' 17' ' ' LEU . 6.5 tt -110.34 104.49 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -116.51 101.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -105.51 117.07 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.71 114.96 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 21' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' V' ' 21' ' ' ALA . . . -142.82 130.4 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.85 143.54 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.88 112.5 14.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 173.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.2 126.44 66.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 -172.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.15 2.81 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.34 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.183 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.12 -51.11 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 166.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -98.76 158.84 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 174.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.02 -164.33 38.54 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.64 162.82 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 111.174 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.18 114.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 172.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 89.9 mt -122.75 119.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -174.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.58 3.85 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 34' ' ' LEU . . . . . 0.463 HD23 HD13 ' V' ' 34' ' ' LEU . 41.8 tp -131.38 119.82 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 111.222 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.64 37.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.41 127.08 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.25 150.34 6.1 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.46 0.49 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.61 125.33 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.184 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 177.369 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.819 0.343 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.49 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 17' ' ' LEU . . . . . 0.559 HD23 ' C ' ' Z' ' 17' ' ' LEU . 6.5 tt -110.37 104.43 13.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.43 101.62 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -105.47 117.08 33.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -120.66 114.98 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 21' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' W' ' 21' ' ' ALA . . . -142.89 130.39 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 175.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.82 143.59 29.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -128.93 112.5 14.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 97.1 t -128.17 126.48 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.23 62.14 2.83 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.37 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.222 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.07 -51.1 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 166.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.74 158.83 15.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.194 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.94 -164.37 38.63 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.65 162.77 14.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.195 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.12 114.6 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 90.1 mt -122.8 119.64 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.62 3.86 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 41.4 tp -131.41 119.89 22.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 111.217 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.27 124.66 37.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 98.7 t -132.42 127.07 56.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.213 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.26 150.39 6.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.68 51.45 0.49 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -128.6 125.34 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 111.182 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 177.332 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.59 111.46 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.214 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -110.28 104.48 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.194 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.49 101.66 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -105.54 117.07 33.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.64 115.0 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.86 130.36 21.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -145.83 143.51 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -128.86 112.5 14.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.244 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.19 126.43 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.192 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.33 62.14 2.81 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -144.12 -177.34 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.175 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.11 -51.08 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 166.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -98.77 158.8 15.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.87 -164.36 38.69 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 172.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.72 162.82 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.19 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 86.9 mt -117.17 114.56 46.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 172.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -122.76 119.62 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.32 117.59 3.85 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 172.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.4 119.88 22.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 111.154 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.1 ttm -128.24 124.63 37.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.4 127.05 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.22 150.36 6.1 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.67 51.47 0.49 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.53 125.33 63.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.317 . . . . 0.0 111.213 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 177.321 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.524 -0.052 0 CA-C-O 120.845 0.355 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.59 139.09 57.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.549 ' HB2' HD22 ' Y' ' 17' ' ' LEU . 60.0 mt -116.51 136.39 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -112.69 115.57 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.71 112.07 20.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.58 110.99 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.67 108.35 18.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.242 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.34 113.45 25.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -174.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.9 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.28 122.52 68.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.41 -22.31 38.06 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.691 ' O ' ' HA ' ' X' ' 26' ' ' SER . 30.7 t -56.65 144.93 30.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.338 . . . . 0.0 111.205 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.52 ' HA ' ' HA ' ' Y' ' 26' ' ' SER . 85.6 m-20 -102.08 -2.25 29.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 174.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.277 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' Y' ' 29' ' ' GLY . . . -92.55 -161.35 36.42 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -172.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.44 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.166 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.1 119.89 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.26 130.74 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' Y' ' 33' ' ' GLY . . . -143.01 123.37 2.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD12 HD22 ' X' ' 34' ' ' LEU . 59.4 mt -120.22 141.07 50.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 111.196 -175.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.48 11.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 175.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.88 111.63 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.17 -4.51 48.62 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.65 -128.68 10.48 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.39 -51.92 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.214 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.199 -1.566 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 -175.57 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.809 0.338 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.43 138.95 57.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.261 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.44 136.37 53.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.188 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.68 115.5 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.71 112.05 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.244 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.46 110.98 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.25 18.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.187 175.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.21 113.54 25.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -174.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.98 96.19 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.16 122.53 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.32 37.97 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' E' ' 26' ' ' SER . 30.7 t -56.68 145.02 30.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.186 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.15 -2.18 29.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.42 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 -176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.57 -161.31 36.38 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -172.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.12 149.49 28.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 111.113 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.07 119.86 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 176.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.21 130.8 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.34 2.09 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 175.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.23 141.08 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.183 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.27 106.59 11.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.1 t -105.93 111.64 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.54 48.88 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.65 10.39 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.45 -51.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.199 -1.586 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.207 -175.606 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.11 57.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' F' ' 17' ' ' LEU . 59.7 mt -116.53 136.32 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.68 115.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.77 112.07 20.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.224 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 111.03 13.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.66 108.35 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.31 113.54 25.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.01 96.34 5.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.28 122.46 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.52 -22.38 37.65 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.69 ' HA ' ' O ' ' F' ' 26' ' ' SER . 30.6 t -56.67 145.02 30.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.237 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.15 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 174.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.67 176.4 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.59 -161.33 36.38 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -172.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.43 28.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 111.226 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.03 119.9 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.175 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.28 130.69 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.95 123.46 2.13 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.619 HD22 HD12 ' F' ' 34' ' ' LEU . 59.2 mt -120.28 141.11 50.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 -175.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.49 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -105.86 111.63 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.48 48.72 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 -128.63 10.51 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.45 -51.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.21 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -175.55 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.57 139.08 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' G' ' 17' ' ' LEU . 59.5 mt -116.46 136.39 53.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.28 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -112.62 115.51 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.74 112.03 20.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.55 111.06 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.72 108.28 18.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.28 113.49 25.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.36 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 95.6 t -120.3 122.48 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.52 -22.4 37.62 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' G' ' 26' ' ' SER . 30.6 t -56.62 145.01 29.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.22 29.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.241 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.464 ' O ' ' HA3' ' G' ' 29' ' ' GLY . . . -92.63 -161.34 36.36 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -172.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.49 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.208 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.08 119.89 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.29 130.74 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.545 ' O ' ' HA2' ' G' ' 33' ' ' GLY . . . -143.02 123.45 2.12 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.24 141.07 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 0.0 111.224 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.34 106.53 11.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -105.92 111.61 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.16 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.47 48.63 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 -128.66 10.49 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.42 -51.97 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.199 -1.558 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 -175.604 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.729 0.299 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.45 139.1 57.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.51 136.35 53.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.247 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 88.9 t -112.68 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.78 112.04 20.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.51 111.0 13.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.262 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.32 18.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.28 113.51 25.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.95 96.26 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.27 122.5 68.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -175.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.32 37.97 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' B' ' 26' ' ' SER . 30.6 t -56.63 144.92 30.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 111.223 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.1 -2.19 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.62 176.43 5.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.62 -161.31 36.35 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -172.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.4 28.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.822 0.344 . . . . 0.0 111.214 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -123.06 119.84 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.3 130.7 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.19 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.4 2.12 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 58.5 mt -120.24 141.11 50.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 111.265 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.37 106.5 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t -105.85 111.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.238 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.5 48.8 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.59 -128.68 10.54 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.4 -51.93 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.36 . . . . 0.0 111.203 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -175.597 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.753 0.311 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.11 57.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.244 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' I' ' 17' ' ' LEU . 59.4 mt -116.45 136.37 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.188 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -112.65 115.48 49.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.63 112.08 20.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.254 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.01 13.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.29 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.18 113.53 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.267 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.93 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.37 122.51 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.53 -22.38 37.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.69 ' O ' ' HA ' ' C' ' 26' ' ' SER . 30.6 t -56.6 144.96 29.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.11 -2.22 29.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.74 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.164 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.6 -161.32 36.36 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -172.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.09 149.41 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.204 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.08 119.88 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.24 130.72 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' I' ' 33' ' ' GLY . . . -142.98 123.48 2.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 175.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.619 HD12 HD22 ' C' ' 34' ' ' LEU . 58.9 mt -120.24 141.04 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 111.259 -175.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.5 11.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -105.91 111.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.187 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.22 -4.47 48.41 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.68 10.47 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.46 -51.9 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 0.0 111.265 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -175.629 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.807 0.337 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.54 139.19 57.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.535 ' HB2' HD22 ' D' ' 17' ' ' LEU . 60.1 mt -116.56 136.34 53.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -112.64 115.53 50.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -116.66 112.07 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.176 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.58 111.09 13.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.21 18.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.12 113.49 25.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 -174.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.0 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.29 122.5 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.3 38.05 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' J' ' 26' ' ' SER . 30.6 t -56.69 145.03 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 111.254 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' D' ' 26' ' ' SER . 85.6 m-20 -102.17 -2.2 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 174.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.68 176.43 5.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.467 ' O ' ' HA3' ' J' ' 29' ' ' GLY . . . -92.57 -161.3 36.37 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -172.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.41 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.12 119.91 59.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.22 130.72 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' D' ' 33' ' ' GLY . . . -142.94 123.36 2.1 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.17 141.14 50.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.764 0.316 . . . . 0.0 111.238 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.44 11.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.92 111.73 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.54 48.77 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.69 -128.65 10.43 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.44 -51.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.357 . . . . 0.0 111.172 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.773 0.321 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.09 57.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -116.5 136.3 53.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.161 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.67 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.68 112.12 20.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 110.97 13.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.26 18.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.228 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.14 113.47 25.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.236 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.99 96.38 5.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.34 122.49 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 -22.27 38.17 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' K' ' 26' ' ' SER . 30.7 t -56.72 145.01 30.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 111.174 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.16 -2.18 29.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.37 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.53 -161.28 36.38 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -172.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.42 28.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.192 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.05 119.84 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.22 130.81 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.0 123.3 2.09 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.17 141.11 50.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.328 . . . . 0.0 111.221 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.3 106.44 11.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.28 175.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.81 111.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.05 -4.5 49.07 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.74 10.47 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.38 -51.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.743 0.306 . . . . 0.0 111.199 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -175.522 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.784 0.326 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.54 139.12 57.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.544 HD22 ' HB2' ' L' ' 17' ' ' LEU . 59.4 mt -116.51 136.34 53.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.66 115.48 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.218 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.62 112.06 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.269 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.49 111.01 13.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.21 18.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.48 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -174.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.87 96.34 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.41 122.53 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.4 -22.29 38.13 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . 0.691 ' HA ' ' O ' ' L' ' 26' ' ' SER . 30.7 t -56.7 145.02 30.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 111.225 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.17 -2.15 29.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.204 174.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.63 176.37 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.54 -161.37 36.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -172.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.44 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 111.231 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.14 119.78 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.18 130.78 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -176.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.401 ' O ' ' HA2' ' L' ' 33' ' ' GLY . . . -142.98 123.37 2.1 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.617 HD22 HD12 ' L' ' 34' ' ' LEU . 59.0 mt -120.2 141.13 50.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 111.21 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.46 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.219 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.89 111.62 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.42 48.56 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.52 -128.65 10.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.39 -52.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 -175.579 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.53 139.08 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' M' ' 17' ' ' LEU . 59.5 mt -116.54 136.37 53.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.71 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.75 112.15 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.149 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.54 111.02 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 174.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.33 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.21 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.54 25.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.99 96.26 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.3 122.55 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -175.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 -22.36 37.86 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.562 ' HA ' ' O ' ' M' ' 26' ' ' SER . 30.8 t -56.74 144.96 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 111.223 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.499 ' HA ' ' HA ' ' G' ' 26' ' ' SER . 85.5 m-20 -102.09 -2.1 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 174.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.69 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.468 ' O ' ' HA3' ' M' ' 29' ' ' GLY . . . -92.63 -161.37 36.38 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -172.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.42 28.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 111.205 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.05 119.88 58.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 176.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.22 130.71 71.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.544 ' HA2' ' O ' ' G' ' 33' ' ' GLY . . . -142.98 123.38 2.1 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.23 141.12 50.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 111.17 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.38 106.51 11.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.92 111.58 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.42 48.73 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 -128.67 10.54 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.36 -51.97 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 111.196 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.787 0.327 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.52 139.09 57.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.201 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.51 136.38 53.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 91.0 t -112.71 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.219 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.7 112.01 20.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.47 110.99 13.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.27 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.217 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.54 25.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.99 96.33 5.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.35 122.52 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.227 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.44 -22.31 38.01 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' H' ' 26' ' ' SER . 30.6 t -56.67 145.05 30.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.347 . . . . 0.0 111.192 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.24 -2.08 29.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 174.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.43 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.37 36.42 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.04 149.47 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.186 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.14 119.89 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.26 130.77 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.93 123.29 2.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.21 141.12 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 -175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.49 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -105.87 111.6 35.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.255 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.43 48.73 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.64 -128.57 10.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.54 -51.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.199 -1.564 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -175.608 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.5 139.05 57.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' O' ' 17' ' ' LEU . 59.4 mt -116.5 136.39 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -112.64 115.48 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -116.62 112.05 20.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.57 111.1 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.173 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.23 18.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.48 25.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.97 96.3 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 96.0 t -120.24 122.42 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.237 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -22.31 37.96 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . 0.692 ' HA ' ' O ' ' O' ' 26' ' ' SER . 30.7 t -56.66 144.94 30.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 111.176 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.07 -2.23 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.67 176.4 5.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.36 36.42 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.05 149.48 28.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 111.198 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.13 119.84 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.16 130.78 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -143.01 123.38 2.1 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.624 HD22 HD12 ' O' ' 34' ' ' LEU . 59.1 mt -120.2 141.06 50.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 111.264 -175.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.22 106.38 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.239 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.82 111.69 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.284 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.06 -4.45 48.97 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.68 10.41 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.41 -51.9 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.195 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--O 1.199 -1.56 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 -175.532 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.66 139.11 57.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' P' ' 17' ' ' LEU . 59.4 mt -116.45 136.38 53.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -112.67 115.51 50.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.247 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.7 112.08 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.5 111.03 13.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.22 18.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.95 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.27 122.45 68.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 -22.26 38.21 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' P' ' 26' ' ' SER . 30.7 t -56.75 145.05 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' J' ' 26' ' ' SER . 85.5 m-20 -102.21 -2.17 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 174.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . 0.469 ' O ' ' HA3' ' P' ' 29' ' ' GLY . . . -92.69 -161.3 36.3 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -172.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.43 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -123.13 119.91 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.22 130.71 71.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.253 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -142.97 123.36 2.1 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.18 141.08 50.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.42 11.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.245 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 87.9 t -105.9 111.61 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -176.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.2 -4.52 48.52 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.59 -128.65 10.52 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.41 -51.95 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -175.524 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.78 0.324 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.54 139.05 57.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 -175.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 59.6 mt -116.48 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 89.7 t -112.71 115.45 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.69 112.09 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.48 110.95 13.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.276 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.33 18.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.25 113.49 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 -174.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.97 96.36 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.31 122.47 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.54 -22.43 37.46 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' K' ' 26' ' ' SER . 30.8 t -56.64 144.97 30.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 111.228 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.11 -2.21 29.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.61 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.6 -161.29 36.35 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -172.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.09 149.46 28.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 111.192 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.17 119.83 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.15 130.84 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.07 123.34 2.09 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -120.19 141.12 50.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.0 111.167 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.31 106.43 11.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -105.91 111.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.01 -4.36 49.08 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.55 -128.65 10.55 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.38 -52.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.22 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.249 -175.639 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.48 139.09 57.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' R' ' 17' ' ' LEU . 59.5 mt -116.46 136.34 53.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 88.3 t -112.67 115.47 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.229 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.65 112.09 20.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.59 111.06 13.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 174.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.31 18.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.54 25.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.31 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.2 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.35 122.47 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.46 -22.28 38.09 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . 0.693 ' HA ' ' O ' ' R' ' 26' ' ' SER . 30.6 t -56.64 145.0 29.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 111.174 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.18 -2.18 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.6 176.44 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.57 -161.33 36.39 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -172.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.06 149.5 28.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 111.205 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -123.18 119.79 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.14 130.75 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.208 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' L' ' 33' ' ' GLY . . . -143.02 123.4 2.11 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 175.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.626 HD22 HD12 ' R' ' 34' ' ' LEU . 59.1 mt -120.16 141.14 50.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.243 -175.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.35 106.44 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.194 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -105.91 111.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.5 48.97 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.78 10.5 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.4 -51.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.225 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 -175.563 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.819 0.343 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.47 139.12 57.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.255 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.541 ' HB2' HD22 ' M' ' 17' ' ' LEU . 59.5 mt -116.43 136.41 53.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.68 115.5 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.67 112.01 20.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.243 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 111.09 13.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.189 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.72 108.31 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.198 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.51 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.191 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.27 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.3 122.46 68.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.193 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 -22.46 37.34 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . 0.566 ' O ' ' HA ' ' M' ' 26' ' ' SER . 30.6 t -56.54 145.04 29.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 111.191 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 0.495 ' HA ' ' HA ' ' M' ' 26' ' ' SER . 85.6 m-20 -102.23 -2.22 29.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 174.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.65 176.46 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' M' ' 29' ' ' GLY . . . -92.65 -161.31 36.33 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -172.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.43 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 111.29 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.11 119.93 59.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.29 130.78 70.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -176.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' M' ' 33' ' ' GLY . . . -142.96 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.22 141.11 50.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.26 106.51 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.97 111.71 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.14 -4.51 48.73 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.64 -128.67 10.49 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.39 -51.94 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -175.591 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.48 139.07 57.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 mt -116.47 136.46 52.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -112.74 115.52 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.73 112.09 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.48 111.07 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 174.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.22 18.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.205 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.19 113.5 25.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 -174.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.99 96.36 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.228 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 94.4 t -120.33 122.48 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.194 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.37 37.72 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' N' ' 26' ' ' SER . 30.7 t -56.71 145.07 30.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 111.212 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.24 -2.13 29.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.63 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.61 -161.32 36.36 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.43 28.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.24 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.12 119.87 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 88.5 mt -127.21 130.79 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.97 123.35 2.1 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 59.1 mt -120.2 141.08 50.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.727 0.299 . . . . 0.0 111.274 -175.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.57 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 175.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -105.97 111.65 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 -176.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.52 48.71 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.7 -128.68 10.44 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 97.6 t -121.44 -51.97 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.811 0.338 . . . . 0.0 111.14 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -175.623 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.772 0.32 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.43 139.04 57.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . 0.548 HD22 ' HB2' ' U' ' 17' ' ' LEU . 59.6 mt -116.45 136.39 53.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -112.74 115.51 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.66 112.07 20.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.201 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 110.99 13.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.39 18.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.26 113.51 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.173 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.98 96.18 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 95.9 t -120.2 122.53 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.47 -22.31 37.99 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . 0.693 ' O ' ' HA ' ' O' ' 26' ' ' SER . 30.9 t -56.79 144.99 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.187 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.11 -2.11 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 174.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.75 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.35 36.4 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -172.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.07 149.41 28.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.223 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.11 119.88 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -127.23 130.66 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.273 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' O' ' 33' ' ' GLY . . . -142.9 123.32 2.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 175.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.631 HD22 HD12 ' U' ' 34' ' ' LEU . 58.9 mt -120.22 141.07 50.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.216 -175.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.55 11.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.91 111.62 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.42 48.76 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 -128.74 10.55 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.37 -51.99 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.154 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 -175.565 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.46 139.1 57.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.25 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' V' ' 17' ' ' LEU . 59.5 mt -116.57 136.36 53.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.191 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -112.73 115.54 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.67 112.14 20.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.206 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.6 111.0 13.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.69 108.33 18.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.111 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.29 113.55 25.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -174.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.43 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.39 122.46 68.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.43 37.52 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 26' ' ' SER . . . . . 0.57 ' HA ' ' O ' ' V' ' 26' ' ' SER . 30.7 t -56.68 145.03 30.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 111.16 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 27' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' P' ' 26' ' ' SER . 85.5 m-20 -102.12 -2.21 29.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.259 174.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.7 176.49 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 29' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' P' ' 29' ' ' GLY . . . -92.65 -161.36 36.36 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -172.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.96 149.5 28.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 111.236 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.19 119.82 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.202 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.18 130.78 71.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 33' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' P' ' 33' ' ' GLY . . . -142.96 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 175.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.2 141.08 50.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.738 0.304 . . . . 0.0 111.273 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.29 106.49 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 88.2 t -105.85 111.66 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.44 48.9 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.65 -128.62 10.44 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.244 -0.743 . . . . 0.0 111.244 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.51 -51.93 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 111.182 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.211 -175.579 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.779 0.323 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.55 139.03 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -116.42 136.38 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.242 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -112.63 115.57 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.73 112.09 20.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.02 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.24 18.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.15 113.45 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.29 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.92 96.37 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.35 122.4 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.46 -22.25 38.21 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 26' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' Q' ' 26' ' ' SER . 30.8 t -56.76 145.13 30.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 111.151 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.25 -2.16 29.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.206 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.66 176.36 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.49 -161.4 36.48 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -172.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.02 149.46 28.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.778 0.323 . . . . 0.0 111.222 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -123.13 119.87 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.2 130.74 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.98 123.45 2.12 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.29 141.12 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.197 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.28 106.48 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.256 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 87.5 t -105.92 111.64 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.17 -4.51 48.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.68 10.47 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.42 -51.95 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 111.144 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.257 -175.572 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.741 0.305 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.55 139.09 57.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 17' ' ' LEU . . . . . 0.548 ' HB2' HD22 ' R' ' 17' ' ' LEU . 59.7 mt -116.49 136.38 53.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.72 115.55 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -116.7 112.1 20.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.54 110.95 13.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.66 108.29 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.259 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.24 113.53 25.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.94 96.3 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.34 122.57 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.43 -22.39 37.74 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 26' ' ' SER . . . . . 0.693 ' O ' ' HA ' ' R' ' 26' ' ' SER . 30.6 t -56.63 145.07 29.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 111.236 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -102.19 -2.18 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 174.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -115.65 176.42 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -176.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.56 -161.29 36.37 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -172.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.1 149.42 28.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.321 . . . . 0.0 111.18 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -123.12 119.81 58.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.18 130.74 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.95 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 34' ' ' LEU . . . . . 0.637 HD22 HD12 ' X' ' 34' ' ' LEU . 59.2 mt -120.19 141.12 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.236 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.47 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -105.85 111.61 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -176.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.44 48.63 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.57 -128.65 10.54 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.42 -52.01 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.178 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -175.555 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.837 0.351 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.45 139.07 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.158 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 17' ' ' LEU . . . . . 0.547 HD22 ' HB2' ' Y' ' 17' ' ' LEU . 59.5 mt -116.53 136.44 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.71 115.53 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -116.68 112.11 20.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.212 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.59 110.97 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.71 108.31 18.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.42 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.237 -174.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -121.92 96.25 4.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.245 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -120.38 122.46 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.55 -22.34 37.77 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 26' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' Y' ' 26' ' ' SER . 30.7 t -56.71 144.98 30.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 111.222 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' V' V ' 27' ' ' ASN . . . . . 0.51 ' HA ' ' HA ' ' S' ' 26' ' ' SER . 85.6 m-20 -102.09 -2.25 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 174.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.55 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.284 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 29' ' ' GLY . . . . . 0.468 ' O ' ' HA3' ' Y' ' 29' ' ' GLY . . . -92.61 -161.29 36.34 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.11 149.4 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 111.275 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.03 119.85 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.26 130.79 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.205 -176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 33' ' ' GLY . . . . . 0.542 ' O ' ' HA2' ' Y' ' 33' ' ' GLY . . . -143.03 123.33 2.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' V' V ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.17 141.18 50.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 -175.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.36 106.49 11.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -105.99 111.73 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.11 -4.51 48.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.67 -128.6 10.41 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.49 -51.93 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 111.172 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 87.3 t . . . . . 0 C--O 1.199 -1.554 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 -175.593 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.54 139.11 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.48 136.37 53.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -112.71 115.57 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -116.69 112.04 20.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.24 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.5 111.15 14.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.8 108.27 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.22 113.54 25.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -121.98 96.34 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -120.34 122.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -175.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.57 -22.37 37.63 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 26' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' T' ' 26' ' ' SER . 30.7 t -56.66 145.04 29.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.157 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -102.22 -2.17 29.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 174.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.66 176.35 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 -176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.49 -161.22 36.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -172.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.17 149.4 28.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 111.234 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.07 119.85 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 88.0 mt -127.21 130.74 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -176.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.99 123.39 2.11 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 59.0 mt -120.22 141.03 50.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 0.0 111.231 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.25 106.47 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.23 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.88 111.66 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.16 -4.56 48.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 -128.63 10.39 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.51 -52.01 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 111.121 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.211 -175.588 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.839 0.352 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.06 57.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.547 ' HB2' HD22 ' U' ' 17' ' ' LEU . 59.6 mt -116.49 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.7 115.53 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.74 112.06 20.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.56 111.07 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.75 108.3 18.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.96 96.26 4.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.226 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -120.28 122.56 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.45 -22.28 38.1 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 26' ' ' SER . . . . . 0.691 ' O ' ' HA ' ' U' ' 26' ' ' SER . 30.8 t -56.7 145.05 30.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.21 -2.15 29.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 174.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.58 176.47 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.69 -161.29 36.3 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -172.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.08 149.47 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.178 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.09 119.94 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -127.32 130.66 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.34 2.1 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 34' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 34' ' ' LEU . 59.0 mt -120.17 141.11 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 111.245 -175.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.43 11.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -105.89 111.68 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.07 -4.46 48.95 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.61 -128.66 10.5 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -121.37 -52.03 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.349 . . . . 0.0 111.243 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.199 -1.571 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.207 -175.602 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.815 0.34 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.48 139.1 57.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 17' ' ' LEU . . . . . 0.549 HD22 ' HB2' ' A' ' 17' ' ' LEU . 59.8 mt -116.51 136.41 53.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.69 115.49 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -116.71 112.11 20.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.53 111.04 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.19 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.13 113.55 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -174.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.02 96.31 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.33 122.46 68.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.5 -22.33 37.87 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 26' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' A' ' 26' ' ' SER . 30.8 t -56.63 145.02 29.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.0 111.202 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 27' ' ' ASN . . . . . 0.515 ' HA ' ' HA ' ' V' ' 26' ' ' SER . 85.6 m-20 -102.18 -2.16 29.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 174.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.7 176.45 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.18 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 29' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' V' ' 29' ' ' GLY . . . -92.57 -161.36 36.41 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -172.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.07 149.45 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 111.233 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -123.15 119.86 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.21 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.25 130.78 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 33' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' V' ' 33' ' ' GLY . . . -142.97 123.49 2.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 175.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 34' ' ' LEU . . . . . . . . . . . . . 59.5 mt -120.28 141.11 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.347 . . . . 0.0 111.204 -175.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.32 106.4 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 90.1 t -105.91 111.67 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -176.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.15 -4.44 48.62 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.69 10.48 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -121.47 -51.94 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 111.166 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -175.633 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.5 139.06 57.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.173 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 59.4 mt -116.48 136.33 53.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.236 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -112.66 115.55 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -116.72 112.01 20.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.52 111.05 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.74 108.33 18.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.2 113.51 25.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.207 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -122.0 96.33 5.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -120.34 122.5 68.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.56 -22.45 37.39 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 26' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' W' ' 26' ' ' SER . 30.6 t -56.59 144.96 29.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.231 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.18 -2.01 30.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.71 176.4 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.193 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.33 36.38 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -172.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.04 149.41 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 111.268 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.09 119.92 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.27 130.67 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.215 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.97 123.43 2.12 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -120.24 141.1 50.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.249 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.33 106.45 11.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.88 111.71 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.229 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.1 -4.49 48.86 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 -128.65 10.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.46 -51.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 0.0 111.168 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -175.581 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.774 0.321 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.47 139.05 57.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 59.4 mt -116.42 136.38 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.71 115.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -116.69 112.12 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -126.6 111.05 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 174.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.65 108.23 18.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.224 175.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -99.25 113.54 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.235 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.97 96.29 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.199 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -120.39 122.43 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.59 -22.46 37.3 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -56.55 144.98 29.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -102.13 -2.25 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 174.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -115.59 176.38 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.58 -161.27 36.35 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -172.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.03 149.37 28.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 111.242 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -123.1 119.86 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.238 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -127.22 130.74 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.24 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.02 123.33 2.09 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -120.19 141.1 50.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 111.224 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.8 ttm -121.27 106.51 11.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.88 111.69 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.04 -4.38 48.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.68 -128.7 10.47 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -121.46 -51.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 111.217 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -175.582 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.731 0.3 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.76 142.31 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -173.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.83 135.59 53.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -126.12 125.33 67.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.25 116.59 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.206 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -98.08 125.02 42.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' X' ' 20' ' ' PHE . . . -134.81 117.69 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.68 130.95 23.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 174.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.96 117.26 25.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -120.91 120.15 61.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.05 27.75 73.55 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 172.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' X' ' 26' ' ' SER . 40.0 t -96.07 151.14 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.202 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.62 -12.84 55.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.219 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.85 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.86 160.06 38.6 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.54 147.94 35.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.24 105.27 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.46 116.99 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -171.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 110.8 1.28 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' Y' ' 34' ' ' LEU . 10.4 tt -125.66 127.34 46.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.248 -176.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.54 130.14 47.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.912 HG11 HD21 ' Y' ' 17' ' ' LEU . 2.5 p -127.26 135.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.56 10.08 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.17 51.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' Y' ' 39' ' ' VAL . 90.6 t -114.33 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.732 0.301 . . . . 0.0 111.166 172.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 C--O 1.2 -1.536 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 179.663 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.32 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -173.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.417 HD21 HG11 ' E' ' 36' ' ' VAL . 5.3 mp -123.88 135.61 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.12 125.34 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.26 116.56 20.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.04 125.0 42.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.86 117.77 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.72 130.91 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.24 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.19 25.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.24 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.82 120.15 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.211 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.12 27.75 73.55 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -96.1 151.19 19.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.191 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.61 -12.88 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.21 150.85 41.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 160.0 38.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.55 148.03 35.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.826 0.346 . . . . 0.0 111.193 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.31 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 -171.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.97 110.79 1.26 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.415 ' C ' HD23 ' B' ' 34' ' ' LEU . 10.4 tt -125.62 127.36 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.184 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.6 130.08 46.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.2 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.2 135.34 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.6 10.1 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.23 51.81 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -175.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.22 -56.88 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 111.231 172.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.713 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.784 0.326 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.75 142.28 35.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.564 HD21 HG11 ' F' ' 36' ' ' VAL . 5.3 mp -123.81 135.62 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.236 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.16 125.31 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.61 20.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.723 ' O ' ' HB3' ' F' ' 21' ' ' ALA . 54.0 t80 -98.04 124.96 42.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.8 117.77 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.74 130.92 23.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.23 25.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.8 120.16 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.09 27.75 73.55 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' F' ' 26' ' ' SER . 39.9 t -96.09 151.19 19.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 111.202 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.64 -12.92 55.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.178 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.11 150.83 41.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 159.99 38.6 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 176.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.95 35.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 111.149 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.31 105.28 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 176.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.44 117.1 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.91 110.76 1.26 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.406 ' C ' HD23 ' C' ' 34' ' ' LEU . 10.4 tt -125.63 127.44 46.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.165 -176.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.17 46.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.481 HG23 HG13 ' F' ' 36' ' ' VAL . 2.5 p -127.22 135.38 63.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.63 15.55 10.16 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.86 -156.17 51.83 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.28 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.211 172.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.275 179.648 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.34 35.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.933 HD21 HG11 ' G' ' 36' ' ' VAL . 5.3 mp -123.89 135.53 53.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.06 125.38 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.3 116.54 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -98.02 124.92 42.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.74 117.72 16.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.73 130.88 23.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.209 174.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.94 117.33 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.93 120.11 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.79 73.57 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 172.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -96.03 151.15 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 111.199 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.65 -12.86 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.18 150.71 41.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.66 159.99 38.92 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.5 147.93 35.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.196 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.26 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.25 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.42 117.06 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.76 1.26 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' G' ' 34' ' ' LEU . 10.4 tt -125.64 127.44 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.192 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.25 135.36 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.69 15.61 10.06 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.2 51.75 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -175.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.32 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 111.161 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.284 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.84 0.353 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.7 142.36 35.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.416 HD21 HG11 ' H' ' 36' ' ' VAL . 5.3 mp -123.9 135.67 53.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.17 125.32 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.51 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.01 124.93 42.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.75 117.73 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.75 130.94 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.91 117.3 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.205 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -120.96 120.14 61.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.7 73.54 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 172.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.03 151.19 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.76 -12.79 55.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.144 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.19 150.7 41.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.233 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.62 159.91 38.91 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.48 147.97 35.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.178 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.2 105.19 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.238 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -116.36 117.02 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.246 -171.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.88 110.76 1.27 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.416 ' C ' HD23 ' E' ' 34' ' ' LEU . 10.4 tt -125.61 127.42 46.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 111.191 -176.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.13 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.417 HG11 HD21 ' B' ' 17' ' ' LEU . 2.5 p -127.29 135.35 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 178.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 15.51 10.14 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.92 -156.22 51.95 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.26 -56.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.189 172.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.834 0.349 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.86 142.3 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.566 HD21 HG11 ' I' ' 36' ' ' VAL . 5.3 mp -123.78 135.63 53.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -126.12 125.34 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.229 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.27 116.5 19.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.719 ' O ' ' HB3' ' I' ' 21' ' ' ALA . 53.7 t80 -98.05 125.04 42.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' C' ' 20' ' ' PHE . . . -134.8 117.82 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.94 23.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 174.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.97 117.25 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -120.83 120.07 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.205 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.25 27.62 73.53 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' I' ' 26' ' ' SER . 39.9 t -95.98 151.18 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.714 0.292 . . . . 0.0 111.236 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.66 -12.89 55.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.78 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.76 160.03 38.76 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.55 148.01 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 111.159 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.33 105.17 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.44 117.12 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 -171.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.69 1.26 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.405 HD23 ' C ' ' F' ' 34' ' ' LEU . 10.4 tt -125.56 127.33 46.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 111.285 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.51 130.03 46.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.248 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.564 HG11 HD21 ' C' ' 17' ' ' LEU . 2.5 p -127.16 135.33 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.77 15.45 10.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.88 -156.14 51.89 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -114.31 -57.01 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 0.0 111.121 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.247 179.688 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.813 0.339 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.35 35.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -173.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.928 HD21 HG11 ' J' ' 36' ' ' VAL . 5.3 mp -123.85 135.64 53.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -126.2 125.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.21 116.57 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -98.11 124.96 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.78 117.73 16.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.69 130.94 23.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.233 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -122.0 117.3 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.82 120.06 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.17 27.67 73.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -95.98 151.12 19.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 111.277 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.62 -12.88 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.241 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.78 41.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.71 159.92 38.75 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 148.0 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 111.24 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 42.3 mm -101.28 105.27 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.44 117.1 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.98 110.78 1.26 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' J' ' 34' ' ' LEU . 10.4 tt -125.68 127.4 46.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 111.186 -176.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.13 46.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.933 HG11 HD21 ' D' ' 17' ' ' LEU . 2.5 p -127.33 135.32 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.55 10.07 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.93 -156.2 51.97 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.31 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 172.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--O 1.2 -1.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 179.701 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.854 0.359 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.34 35.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -173.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.413 HD21 HG11 ' K' ' 36' ' ' VAL . 5.3 mp -123.91 135.65 53.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.14 125.36 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 174.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.28 116.53 19.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.08 125.05 42.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.77 117.84 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.98 117.24 25.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.205 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.82 120.14 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.18 27.73 73.55 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 172.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.06 151.21 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.0 111.186 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.69 -12.83 55.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.14 150.8 41.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.81 159.98 38.6 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 147.96 35.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 0.0 111.2 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.29 105.31 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.46 117.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.81 1.27 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.411 ' C ' HD23 ' H' ' 34' ' ' LEU . 10.4 tt -125.67 127.42 46.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 111.191 -176.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.62 130.13 46.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 176.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.416 HG11 HD21 ' E' ' 17' ' ' LEU . 2.5 p -127.29 135.31 63.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.59 10.07 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.2 51.72 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.31 -56.81 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 111.201 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.698 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.783 0.325 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.68 142.29 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 -173.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.566 HD21 HG11 ' L' ' 36' ' ' VAL . 5.3 mp -123.86 135.64 53.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.204 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -126.12 125.31 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 174.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.28 116.49 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -176.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.718 ' O ' ' HB3' ' L' ' 21' ' ' ALA . 53.4 t80 -98.05 124.99 42.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' F' ' 20' ' ' PHE . . . -134.7 117.73 16.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.223 174.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.29 26.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.92 120.19 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 172.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' L' ' 26' ' ' SER . 40.0 t -96.04 151.12 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.197 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.65 -12.89 55.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.11 150.76 41.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.74 159.96 38.74 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.43 147.97 35.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 111.217 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.35 105.27 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -116.45 117.16 54.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -171.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.95 110.78 1.26 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.408 HD23 ' C ' ' I' ' 34' ' ' LEU . 10.4 tt -125.66 127.35 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -176.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.56 130.14 46.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.183 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.566 HG11 HD21 ' F' ' 17' ' ' LEU . 2.5 p -127.27 135.32 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 15.68 10.02 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.77 -156.25 51.59 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -175.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.23 -56.87 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 111.194 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 179.69 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.742 0.306 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.67 142.34 35.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.922 HD21 HG11 ' M' ' 36' ' ' VAL . 5.3 mp -123.87 135.58 53.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.298 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -126.08 125.36 67.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.34 116.56 19.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.08 124.96 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.222 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.79 117.81 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.83 130.94 23.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.92 117.18 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.243 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -120.85 120.09 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.18 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -95.98 151.2 19.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.777 0.322 . . . . 0.0 111.235 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.68 -12.86 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.216 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.84 41.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.96 38.51 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.51 148.0 35.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.222 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.29 105.25 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -116.46 117.07 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 110.85 1.28 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' M' ' 34' ' ' LEU . 10.4 tt -125.74 127.38 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 111.107 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.57 130.2 47.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.928 HG11 HD21 ' G' ' 17' ' ' LEU . 2.5 p -127.28 135.35 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.73 15.55 10.08 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.19 51.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.26 -56.94 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.16 172.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.735 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 120.861 0.362 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.73 142.25 35.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -173.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.407 HD21 HG11 ' N' ' 36' ' ' VAL . 5.3 mp -123.84 135.62 53.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -126.13 125.31 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.49 19.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -98.08 124.88 42.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.68 117.8 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.77 130.87 23.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.199 174.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.92 117.2 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -120.81 120.16 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 27.68 73.54 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 172.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.04 151.21 19.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 111.214 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.7 -12.85 55.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.14 150.81 41.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.72 159.95 38.76 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 148.01 35.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 111.209 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.28 105.23 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.09 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.73 1.26 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.412 HD23 ' C ' ' K' ' 34' ' ' LEU . 10.4 tt -125.61 127.38 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 111.239 -176.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.413 HG11 HD21 ' H' ' 17' ' ' LEU . 2.5 p -127.24 135.33 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.51 10.13 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.91 -156.17 51.95 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -175.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 90.0 t -114.32 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 111.246 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.206 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.81 142.25 35.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.567 HD21 HG11 ' O' ' 36' ' ' VAL . 5.3 mp -123.84 135.61 53.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.13 125.33 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.28 116.52 19.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . 0.72 ' O ' ' HB3' ' O' ' 21' ' ' ALA . 53.6 t80 -98.02 124.95 42.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' I' ' 20' ' ' PHE . . . -134.78 117.81 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.76 130.89 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.206 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.27 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -120.82 120.13 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.262 -175.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.21 27.63 73.53 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' O' ' 26' ' ' SER . 39.9 t -96.03 151.12 19.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 0.0 111.246 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.67 -12.79 55.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.89 41.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.88 159.99 38.47 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 147.98 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 111.207 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.37 116.97 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 110.82 1.28 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.408 ' C ' HD23 ' L' ' 34' ' ' LEU . 10.4 tt -125.68 127.37 46.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.348 . . . . 0.0 111.192 -176.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.6 130.15 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.566 HG11 HD21 ' I' ' 17' ' ' LEU . 2.5 p -127.2 135.35 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 15.57 10.11 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 -156.19 51.85 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.25 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 111.229 172.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.676 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 120.845 0.355 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.72 142.3 35.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.914 HD21 HG11 ' P' ' 36' ' ' VAL . 5.3 mp -123.82 135.6 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -126.21 125.26 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.25 116.51 19.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.01 124.91 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 117.78 16.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.78 130.85 23.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 174.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.87 117.33 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 97.7 t -120.88 120.13 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.66 73.53 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 172.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -95.95 151.17 19.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.212 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.69 -12.89 55.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.1 150.89 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.98 38.54 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.98 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 111.27 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.27 105.28 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.49 117.15 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.91 110.76 1.26 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' J' ' 34' ' ' LEU . 10.4 tt -125.71 127.42 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.212 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.13 46.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.922 HG11 HD21 ' J' ' 17' ' ' LEU . 2.5 p -127.26 135.39 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.62 15.66 10.07 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.8 -156.22 51.69 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.25 -56.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.229 172.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.637 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.817 0.341 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.34 35.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.403 HD21 HG11 ' Q' ' 36' ' ' VAL . 5.3 mp -123.82 135.62 53.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.18 125.25 67.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.25 116.54 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -176.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.03 124.88 42.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.69 117.81 16.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.91 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.97 117.29 26.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.85 120.12 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.229 -174.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.78 73.56 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.1 151.21 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.16 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.66 -12.87 55.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.14 150.79 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 160.02 38.73 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.54 148.02 35.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.197 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.22 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.37 117.11 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 -171.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.82 1.27 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' N' ' 34' ' ' LEU . 10.4 tt -125.7 127.3 46.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 111.193 -176.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.48 130.14 47.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.407 HG11 HD21 ' K' ' 17' ' ' LEU . 2.5 p -127.28 135.3 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.205 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.64 10.02 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.22 51.74 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.3 -56.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 179.676 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.887 0.375 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 142.27 35.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.266 -173.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.565 HD21 HG11 ' R' ' 36' ' ' VAL . 5.3 mp -123.78 135.65 53.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.202 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -126.16 125.31 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.211 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.29 116.63 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . 0.72 ' O ' ' HB3' ' R' ' 21' ' ' ALA . 53.5 t80 -98.13 124.97 42.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' L' ' 20' ' ' PHE . . . -134.74 117.79 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.79 130.89 23.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.256 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.26 26.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.85 120.11 61.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.12 27.77 73.56 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 172.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' R' ' 26' ' ' SER . 39.7 t -96.14 151.25 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.191 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.7 -12.88 55.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.17 150.82 41.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 159.93 38.65 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.41 148.0 35.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.228 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.33 105.23 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.07 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -171.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 110.76 1.27 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.409 ' C ' HD23 ' O' ' 34' ' ' LEU . 10.4 tt -125.68 127.4 46.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 111.241 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.05 46.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.567 HG11 HD21 ' L' ' 17' ' ' LEU . 2.5 p -127.2 135.41 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.178 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.63 15.62 10.1 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.79 -156.25 51.65 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.24 -56.95 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.186 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.251 179.651 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.74 142.31 35.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.285 -173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.904 HD21 HG11 ' S' ' 36' ' ' VAL . 5.3 mp -123.86 135.58 53.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.1 125.28 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 174.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.26 116.56 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.07 124.95 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.69 117.74 16.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.26 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.79 130.85 23.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.19 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.86 117.27 26.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.244 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.89 120.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -96.01 151.15 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -83.59 -12.86 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.18 150.85 41.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.78 159.94 38.64 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.44 147.96 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.3 105.28 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.48 117.01 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.186 -171.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 110.82 1.28 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' S' ' 34' ' ' LEU . 10.4 tt -125.68 127.41 46.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.17 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.11 46.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.914 HG11 HD21 ' M' ' 17' ' ' LEU . 2.5 p -127.24 135.45 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.61 15.53 10.19 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.95 -156.22 51.99 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' S' ' 39' ' ' VAL . 90.4 t -114.28 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.192 172.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 179.665 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.34 35.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . 0.401 HD21 HG11 ' T' ' 36' ' ' VAL . 5.3 mp -123.79 135.6 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.07 125.21 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.22 116.57 20.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.205 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -98.09 124.93 42.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.67 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.27 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.72 130.88 23.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.9 117.23 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -120.88 120.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.05 27.81 73.57 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.11 151.2 19.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.871 0.367 . . . . 0.0 111.137 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.72 -12.8 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.275 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.85 41.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.184 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.91 159.99 38.43 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 148.01 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.758 0.313 . . . . 0.0 111.212 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.43 117.05 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.182 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 110.76 1.27 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' Q' ' 34' ' ' LEU . 10.4 tt -125.65 127.4 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.735 0.303 . . . . 0.0 111.184 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.66 130.09 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . 0.403 HG11 HD21 ' N' ' 17' ' ' LEU . 2.5 p -127.17 135.33 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.74 15.6 10.04 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.18 51.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.29 -56.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 111.208 172.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.72 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.794 0.331 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.67 142.31 35.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . 0.566 HD21 HG11 ' U' ' 36' ' ' VAL . 5.3 mp -123.84 135.63 53.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.12 125.29 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.56 20.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . 0.719 ' O ' ' HB3' ' U' ' 21' ' ' ALA . 54.0 t80 -98.08 124.88 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' O' ' 20' ' ' PHE . . . -134.68 117.82 16.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.92 117.27 26.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.92 120.18 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.08 27.74 73.55 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 172.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' O' ' 26' ' ' SER . 39.6 t -96.12 151.23 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.72 -12.81 55.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.202 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.21 150.8 41.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.74 159.99 38.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.97 35.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.825 0.345 . . . . 0.0 111.235 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.32 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.42 117.14 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.93 110.74 1.26 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.414 HD23 ' C ' ' R' ' 34' ' ' LEU . 10.4 tt -125.66 127.35 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 111.163 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.55 130.17 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . 0.565 HG11 HD21 ' O' ' 17' ' ' LEU . 2.5 p -127.24 135.25 64.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.58 10.04 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 -156.24 51.82 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -175.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -114.21 -56.86 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.265 172.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.198 -1.621 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.719 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.813 0.339 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.75 142.38 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 0.897 HD21 HG11 ' V' ' 36' ' ' VAL . 5.3 mp -123.87 135.6 53.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -126.08 125.33 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.35 116.56 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 -176.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.01 125.0 42.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.82 117.79 16.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.75 130.88 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.226 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.94 117.26 26.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.215 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 97.9 t -120.85 120.17 61.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 172.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.09 151.23 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.17 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.69 -12.84 55.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.16 150.8 41.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.208 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.85 159.99 38.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.51 148.06 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -101.36 105.22 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.42 117.05 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.86 110.78 1.27 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' P' ' 34' ' ' LEU . 10.4 tt -125.63 127.41 46.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.193 -176.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.63 130.09 46.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 36' ' ' VAL . . . . . 0.904 HG11 HD21 ' P' ' 17' ' ' LEU . 2.5 p -127.2 135.41 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.61 15.56 10.17 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.82 -156.21 51.73 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' V' ' 39' ' ' VAL . 89.6 t -114.24 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.166 172.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.721 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.74 142.36 35.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.187 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 17' ' ' LEU . . . . . 0.404 HD21 HG11 ' W' ' 36' ' ' VAL . 5.3 mp -123.9 135.63 53.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.15 125.35 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.3 116.52 19.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -98.06 124.89 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.86 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.199 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.92 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.94 117.35 26.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 99.3 t -120.91 120.16 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.74 73.55 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 172.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.07 151.19 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.177 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.72 -12.8 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -142.16 150.84 41.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.75 159.95 38.69 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.45 148.01 35.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.244 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.19 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.207 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.36 117.02 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -171.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.85 110.78 1.27 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 34' ' ' LEU . . . . . 0.413 ' C ' HD23 ' T' ' 34' ' ' LEU . 10.4 tt -125.62 127.45 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.254 -176.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.61 130.06 46.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 36' ' ' VAL . . . . . 0.401 HG11 HD21 ' Q' ' 17' ' ' LEU . 2.5 p -127.18 135.34 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.68 15.61 10.07 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.83 -156.17 51.78 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 89.6 t -114.23 -56.97 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 111.275 172.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.258 179.626 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.771 0.319 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.84 142.35 35.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.201 -173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 17' ' ' LEU . . . . . 0.563 HD21 HG11 ' X' ' 36' ' ' VAL . 5.3 mp -123.83 135.56 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -126.13 125.4 67.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.184 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.32 116.6 20.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 20' ' ' PHE . . . . . 0.717 ' O ' ' HB3' ' X' ' 21' ' ' ALA . 53.5 t80 -98.07 124.95 42.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.205 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' U' U ' 21' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' R' ' 20' ' ' PHE . . . -134.74 117.79 16.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.8 130.91 23.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.97 117.24 25.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -120.87 120.18 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.7 73.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 26' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' X' ' 26' ' ' SER . 39.8 t -96.09 151.19 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 0.0 111.192 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.74 -12.76 55.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.16 150.83 41.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.88 159.99 38.49 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.48 147.96 35.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 111.213 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.34 105.33 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.43 117.05 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -171.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.92 110.75 1.26 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 34' ' ' LEU . . . . . 0.416 HD23 ' C ' ' U' ' 34' ' ' LEU . 10.4 tt -125.7 127.37 46.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.24 -176.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.11 46.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 36' ' ' VAL . . . . . 0.566 HG11 HD21 ' R' ' 17' ' ' LEU . 2.5 p -127.27 135.31 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 178.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.76 15.46 10.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.84 -156.21 51.77 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -175.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.19 -56.9 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 172.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.738 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.75 0.31 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 142.29 35.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 17' ' ' LEU . . . . . 0.904 HD21 HG11 ' Y' ' 36' ' ' VAL . 5.3 mp -123.83 135.63 53.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -126.15 125.39 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 174.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -128.29 116.52 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.233 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.06 124.94 42.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.72 117.78 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.81 130.94 23.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.96 117.33 26.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.92 120.17 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -174.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.14 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 172.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.01 151.16 19.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.75 -12.74 55.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.196 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.82 41.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.79 159.98 38.65 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.56 147.96 35.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 111.203 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.23 105.27 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.242 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.44 117.07 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 -171.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.72 1.26 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' Y' ' 34' ' ' LEU . 10.4 tt -125.64 127.45 46.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 111.239 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.62 130.1 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 36' ' ' VAL . . . . . 0.897 HG11 HD21 ' S' ' 17' ' ' LEU . 2.5 p -127.19 135.3 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.73 15.59 10.05 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.85 -156.16 51.84 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 39' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' Y' ' 39' ' ' VAL . 89.2 t -114.3 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 111.195 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 C--O 1.2 -1.539 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.191 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.773 0.321 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.76 142.34 35.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 17' ' ' LEU . . . . . 0.408 HD21 HG11 ' Z' ' 36' ' ' VAL . 5.3 mp -123.88 135.52 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -126.06 125.24 67.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.216 174.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.26 116.55 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 -176.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -98.05 124.88 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 117.8 16.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.78 130.87 23.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.89 117.23 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.85 120.17 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.11 27.74 73.55 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 172.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.11 151.24 19.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.71 -12.86 55.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.2 150.75 41.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.76 159.99 38.72 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.53 147.98 35.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.28 105.24 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.43 117.1 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -171.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.79 1.27 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' W' ' 34' ' ' LEU . 10.4 tt -125.62 127.36 46.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.234 -176.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.58 130.07 46.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 36' ' ' VAL . . . . . 0.404 HG11 HD21 ' T' ' 17' ' ' LEU . 2.5 p -127.24 135.33 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.68 15.61 10.07 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.84 -156.16 51.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.33 -56.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 0.0 111.206 172.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 179.647 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.746 0.308 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.33 35.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.246 -173.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.562 HD21 HG11 ' A' ' 36' ' ' VAL . 5.3 mp -123.86 135.57 53.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.27 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -126.08 125.34 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.3 116.51 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . 0.712 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 53.8 t80 -98.02 124.9 42.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' U' ' 20' ' ' PHE . . . -134.65 117.75 16.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.308 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.79 130.87 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.163 174.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.88 117.18 25.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.25 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 96.7 t -120.77 120.16 61.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 -175.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 27.63 73.52 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 26' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 26' ' ' SER . 40.0 t -95.91 151.19 19.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.762 0.315 . . . . 0.0 111.215 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.71 -12.91 55.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.12 150.78 41.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.86 160.01 38.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.93 35.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 111.181 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -101.25 105.15 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 80.3 mt -116.34 117.09 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -171.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.9 110.77 1.27 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 34' ' ' LEU . . . . . 0.413 ' C ' HD23 ' X' ' 34' ' ' LEU . 10.4 tt -125.69 127.38 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 111.222 -176.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.53 130.17 47.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 36' ' ' VAL . . . . . 0.563 HG11 HD21 ' U' ' 17' ' ' LEU . 2.5 p -127.27 135.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.68 10.02 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.19 51.73 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.26 -56.87 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.251 179.656 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.777 0.322 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.75 142.34 35.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.259 -173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 17' ' ' LEU . . . . . 0.912 HD21 HG11 ' A' ' 36' ' ' VAL . 5.3 mp -123.89 135.6 53.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.1 125.37 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.29 116.55 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -98.05 124.85 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.73 117.82 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.14 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -141.77 130.92 23.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.246 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.96 117.24 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -120.88 120.13 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.2 27.65 73.53 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.05 151.18 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 111.159 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.66 -12.9 55.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -142.03 150.76 41.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.285 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.77 160.0 38.71 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 147.99 35.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 111.186 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.24 105.26 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -116.45 117.12 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -171.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.94 110.76 1.26 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 10.4 tt -125.64 127.42 46.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 -176.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.57 130.12 46.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 36' ' ' VAL . . . . . 0.904 HG11 HD21 ' V' ' 17' ' ' LEU . 2.5 p -127.24 135.3 63.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.66 15.62 10.08 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.89 -156.26 51.86 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -175.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 39' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' VAL . 89.5 t -114.24 -56.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 111.196 172.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 91.3 t . . . . . 0 C--O 1.201 -1.496 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 179.67 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.834 0.35 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.8 142.32 35.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 -173.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.84 135.64 53.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.1 125.37 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.34 116.56 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.167 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -98.01 124.94 42.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.237 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.75 117.77 16.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.76 131.0 23.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -121.99 117.28 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.2 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.86 120.17 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.15 27.69 73.54 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 172.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.05 151.24 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.239 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.73 -12.91 55.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.1 150.86 41.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.82 159.99 38.61 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.94 35.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 111.183 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -101.34 105.24 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 80.4 mt -116.41 117.14 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.79 1.27 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 34' ' ' LEU . . . . . 0.413 HD23 ' C ' ' Z' ' 34' ' ' LEU . 10.4 tt -125.63 127.38 46.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.61 130.13 46.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 36' ' ' VAL . . . . . 0.408 HG11 HD21 ' W' ' 17' ' ' LEU . 2.5 p -127.27 135.38 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 15.49 10.16 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.88 -156.21 51.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.23 -56.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 111.234 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.743 0.306 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.77 142.35 35.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.221 -173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.89 135.57 53.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.14 125.36 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -128.32 116.47 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.198 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -97.97 124.97 42.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.72 117.7 16.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -141.8 130.96 23.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -121.95 117.23 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.236 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.88 120.22 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -174.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.04 27.78 73.56 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -96.06 151.26 19.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.354 . . . . 0.0 111.168 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -83.75 -12.84 55.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -142.15 150.78 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.8 160.01 38.66 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.49 148.0 35.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.184 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 mm -101.33 105.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -116.44 117.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.87 110.8 1.27 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tt -125.62 127.44 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.15 -176.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 60.3 ttm -128.69 130.13 46.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 p -127.21 135.31 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.7 15.57 10.09 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.77 -156.2 51.63 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.25 -56.9 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 111.206 172.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.191 179.705 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.592 ' HA ' ' OE1' ' A' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.844 0.354 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.19 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD23 HD13 ' X' ' 17' ' ' LEU . 45.6 tp -129.43 118.38 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 176.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -127.42 128.74 70.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.09 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.239 -175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.59 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 173.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.22 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.42 115.95 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.91 99.21 5.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.69 125.97 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.201 -174.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.75 72.83 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 173.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.19 150.53 21.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.176 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -90.23 -3.5 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.86 158.33 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.37 11.7 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.39 21.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 111.2 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.2 125.61 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 170.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.66 122.96 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.162 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.72 107.92 0.95 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 173.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.416 ' HB2' HD22 ' Y' ' 34' ' ' LEU . 39.0 mt -112.09 123.92 51.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 111.18 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.43 126.16 41.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.6 t -112.27 121.34 64.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 177.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.61 46.5 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.75 -149.8 26.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.27 119.87 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.195 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 -176.218 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.596 ' HA ' ' OE1' ' B' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.838 0.351 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.05 34.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 tp -129.39 118.43 22.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.219 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.1 t -127.37 128.75 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.1 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.44 111.5 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 173.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.23 14.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.239 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.49 115.95 31.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.95 99.25 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.66 125.99 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.229 -174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.75 72.82 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -98.21 150.52 21.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 111.263 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.23 -3.54 57.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.195 176.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.34 44.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.93 -141.31 11.66 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -171.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.15 151.35 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.22 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.11 125.62 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 170.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.72 122.96 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -169.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.9 0.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -112.04 123.92 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 111.215 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.43 126.26 42.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.168 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 82.9 t -112.29 121.29 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.55 46.48 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.65 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.35 119.88 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.176 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -176.178 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.602 ' HA ' ' OE1' ' C' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.783 0.325 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.08 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.401 HD13 HD23 ' F' ' 17' ' ' LEU . 45.7 tp -129.46 118.44 22.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.257 176.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -127.39 128.74 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.252 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.34 121.09 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -175.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.53 111.47 23.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 173.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.24 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.39 115.9 31.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.92 99.26 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.69 125.93 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.251 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.66 72.89 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.16 150.56 21.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.2 -3.57 57.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.213 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.91 158.36 44.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.233 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.94 -141.34 11.68 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -171.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.32 21.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.15 125.62 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.242 170.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.62 122.95 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.236 -169.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.7 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.09 123.95 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.155 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.51 126.15 41.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.16 121.27 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.254 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.91 139.61 46.56 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.69 25.89 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.33 119.85 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.241 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 -176.113 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.598 ' HA ' ' OE1' ' D' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.13 34.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.5 22.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.47 128.75 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.37 121.04 32.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.39 111.51 23.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.262 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.28 106.25 14.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.98 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.211 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.96 99.29 5.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.76 125.92 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.75 72.83 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.17 150.55 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 111.221 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.29 -3.5 57.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.4 44.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.99 -141.3 11.63 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.38 21.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.19 125.54 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.59 122.95 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.241 -169.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.91 0.95 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' G' ' 34' ' ' LEU . 39.3 mt -112.09 123.99 51.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.52 126.27 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.3 121.32 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.98 139.53 46.42 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.65 -149.72 25.94 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -113.38 119.95 62.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.219 -176.176 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' E' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.816 0.341 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.6 123.16 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.42 118.48 22.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.48 128.85 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.38 121.02 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.38 111.55 24.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.275 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.22 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.45 115.91 31.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.87 99.23 5.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.67 125.97 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.212 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.89 28.66 72.87 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 173.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.1 150.56 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 111.234 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.31 -3.49 57.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.181 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.28 44.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.26 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.88 -141.32 11.68 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.11 151.32 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 111.228 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -118.09 125.6 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 170.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 122.94 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -170.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.96 0.96 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 mt -112.13 123.97 51.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 111.236 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.53 126.27 41.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 82.4 t -112.32 121.37 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.97 139.56 46.44 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.67 25.87 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.35 119.93 62.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.34 . . . . 0.0 111.172 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -176.136 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' F' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.815 0.341 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.49 123.1 35.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.243 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.401 HD23 HD13 ' C' ' 17' ' ' LEU . 45.6 tp -129.39 118.4 22.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.241 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 75.1 t -127.35 128.71 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.12 33.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.49 111.58 24.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.29 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.98 31.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.199 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.87 99.21 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -128.71 125.98 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.65 72.9 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.1 150.59 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.221 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.31 -3.51 57.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.37 44.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.28 11.61 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -171.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.32 21.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.211 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.15 125.62 74.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 170.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.65 122.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.94 0.95 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 38.7 mt -112.08 123.85 51.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 111.234 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.4 126.22 42.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.255 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 83.1 t -112.25 121.28 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.195 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.9 139.53 46.54 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.69 -149.71 25.92 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.27 119.88 61.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 -176.269 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.596 ' HA ' ' OE1' ' G' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.851 0.357 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.56 123.06 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.46 118.51 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.45 128.75 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.255 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.0 32.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.5 23.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.22 106.17 14.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.38 115.9 31.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.219 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.85 99.24 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -128.72 125.9 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.18 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 28.65 72.87 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.09 150.64 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.2 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.33 -3.54 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.98 158.31 44.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.92 -141.33 11.68 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.36 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 111.241 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.17 125.57 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.211 170.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.59 123.0 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 107.94 0.95 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.413 HD22 ' HB2' ' J' ' 34' ' ' LEU . 39.1 mt -112.14 123.93 51.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 111.178 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.49 126.17 41.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 82.8 t -112.22 121.22 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.88 139.61 46.61 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.77 -149.66 25.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 79.3 t -113.37 119.88 61.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.132 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.199 -1.604 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.262 -176.28 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' H' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.55 123.06 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.193 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 tp -129.39 118.52 22.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 76.2 t -127.47 128.73 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 121.14 33.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.44 111.51 23.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.29 106.13 14.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.38 115.84 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.283 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.83 99.33 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -128.74 125.95 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.79 28.62 72.95 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.56 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 111.188 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.18 -3.65 57.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.78 158.41 44.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.219 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.03 -141.33 11.65 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -171.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.34 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.13 125.68 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 170.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.72 122.99 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -170.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.69 107.87 0.95 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 173.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.07 123.85 51.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.231 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.42 126.21 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.2 121.31 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.6 46.59 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.75 25.97 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 78.8 t -113.35 119.93 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.2 -1.507 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.199 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.601 ' HA ' ' OE1' ' I' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.855 0.36 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.49 123.09 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.217 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.4 HD13 HD23 ' L' ' 17' ' ' LEU . 45.5 tp -129.47 118.48 22.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 176.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.37 128.72 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.262 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.03 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.257 -175.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.55 24.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.264 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.26 14.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.48 115.82 31.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.81 99.22 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.76 125.94 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -174.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.79 28.73 72.87 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.17 150.56 21.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.33 -3.43 57.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.4 44.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.35 11.67 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.29 21.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.236 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.16 125.68 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 170.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.63 122.94 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.245 -170.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.9 0.95 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 173.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.09 123.96 51.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 111.195 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.45 126.17 41.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 81.1 t -112.11 121.31 64.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.01 139.56 46.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.66 -149.7 25.91 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.28 119.92 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.141 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.201 -1.466 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -176.251 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.595 ' HA ' ' OE1' ' J' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.13 35.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.49 118.49 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 74.5 t -127.41 128.73 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.03 32.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.51 23.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.29 106.26 14.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.89 31.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.92 99.27 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 92.5 t -128.7 125.94 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -174.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.87 28.61 72.92 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.09 150.56 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.193 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.22 -3.57 57.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.22 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.87 158.36 44.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.35 11.66 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -171.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.34 21.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.16 125.63 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 170.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 123.07 70.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -169.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.96 0.95 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.413 ' HB2' HD22 ' G' ' 34' ' ' LEU . 39.3 mt -112.12 123.99 51.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 64.9 ttp -127.54 126.24 41.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 82.2 t -112.26 121.22 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.84 139.59 46.67 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.68 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 77.8 t -113.26 119.92 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 0.0 111.19 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -176.182 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' K' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.56 123.08 34.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.215 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.43 118.43 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.206 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.46 128.78 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.36 121.04 32.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.39 111.52 23.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.32 106.26 14.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.9 31.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.9 99.26 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.211 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.7 125.94 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.287 -174.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.72 72.82 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 173.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.18 150.54 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 111.196 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.22 -3.6 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.94 158.31 44.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.87 -141.4 11.74 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -171.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.07 151.42 21.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 111.22 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.23 125.64 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.69 123.02 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 107.91 0.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 39.4 mt -112.1 123.92 51.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.134 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.21 42.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.21 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 82.4 t -112.25 121.35 64.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.06 139.61 46.33 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.68 -149.67 25.86 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.3 119.91 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.181 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.207 -176.196 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . 0.601 ' HA ' ' OE1' ' L' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.876 0.37 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.13 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.4 HD23 HD13 ' I' ' 17' ' ' LEU . 45.5 tp -129.44 118.52 22.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 176.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -127.52 128.79 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.42 121.05 32.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.43 111.51 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.31 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.52 115.97 31.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.96 99.29 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.73 125.94 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.25 -174.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.7 72.87 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.56 21.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.768 0.318 . . . . 0.0 111.233 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.22 -3.56 57.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.34 44.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.88 -141.34 11.69 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -171.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.18 151.29 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 111.193 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.07 125.59 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 170.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.6 122.99 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.77 107.9 0.95 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.11 123.89 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.25 42.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.192 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 82.3 t -112.21 121.39 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.02 139.61 46.39 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.76 -149.77 25.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.23 119.93 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 111.2 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -176.222 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . 0.592 ' HA ' ' OE1' ' M' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.784 0.326 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.57 123.06 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.48 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.38 128.73 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.221 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.31 121.03 32.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.53 24.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.19 106.22 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.46 115.91 31.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.82 99.28 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.74 125.98 64.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.68 72.89 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 173.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.13 150.53 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 111.191 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.15 -3.59 57.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.35 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 -141.34 11.69 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -171.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.1 151.41 21.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 0.0 111.248 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.16 125.67 74.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 170.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.63 122.92 70.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -169.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.75 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.414 HD22 ' HB2' ' P' ' 34' ' ' LEU . 38.9 mt -112.07 123.95 51.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 111.191 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.49 126.29 41.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 82.1 t -112.29 121.32 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.61 46.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.78 -149.7 25.89 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.27 119.89 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 111.223 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.246 -176.248 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . 0.602 ' HA ' ' OE1' ' N' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.787 0.327 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.59 123.1 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.206 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.38 118.44 22.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.213 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.39 128.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.228 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.41 121.04 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.167 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.53 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 173.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.25 14.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.96 31.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.93 99.32 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.7 125.92 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.77 72.82 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.19 150.51 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.18 -3.56 57.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.92 158.4 44.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.01 -141.29 11.62 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -171.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.18 151.41 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 111.169 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.19 125.61 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.54 123.04 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.233 -170.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.76 107.95 0.95 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.15 123.92 51.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 111.188 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.46 126.21 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.212 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.23 121.28 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.91 139.56 46.54 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.75 -149.72 25.92 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 77.9 t -113.28 119.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.183 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.199 -1.585 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.227 -176.212 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . 0.598 ' HA ' ' OE1' ' O' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.61 123.12 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.4 HD23 HD13 ' L' ' 17' ' ' LEU . 45.8 tp -129.44 118.44 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.48 128.84 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.44 121.04 32.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.5 111.58 24.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.205 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.23 106.23 14.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.214 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.49 115.99 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.91 99.25 5.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.197 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.69 125.9 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 28.74 72.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 173.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -98.18 150.54 21.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.684 0.278 . . . . 0.0 111.234 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.13 -3.68 57.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.253 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.84 158.31 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 -141.33 11.68 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -171.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.17 151.32 21.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.14 125.6 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 170.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.66 122.96 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 -169.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.73 107.93 0.95 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 mt -112.02 123.9 51.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.781 0.324 . . . . 0.0 111.224 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.43 126.24 42.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.236 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.17 121.28 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 139.62 46.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.77 -149.71 25.9 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.29 119.89 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 111.184 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.265 -176.241 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . 0.589 ' HA ' ' OE1' ' P' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.51 123.09 35.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 tp -129.48 118.38 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.231 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.42 128.82 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.199 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.37 120.99 32.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.42 111.5 23.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.245 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.16 106.2 14.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.4 115.93 31.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.204 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.88 99.14 5.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.73 125.93 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.192 -174.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.78 72.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 173.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -98.16 150.52 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.324 . . . . 0.0 111.203 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.26 -3.51 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.225 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.36 44.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.36 11.69 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.13 151.31 21.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 111.209 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.12 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.65 122.93 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.173 -169.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.88 0.95 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.414 ' HB2' HD22 ' M' ' 34' ' ' LEU . 39.0 mt -112.06 123.9 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 111.211 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.4 126.22 42.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -112.27 121.36 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.99 139.64 46.46 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.74 -149.72 25.92 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 78.0 t -113.32 119.91 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.212 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -176.195 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' Q' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.848 0.356 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.53 123.12 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.201 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -129.49 118.52 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -127.47 128.76 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.4 121.0 32.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 -175.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.36 111.48 23.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.252 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.34 14.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.57 115.96 31.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.88 99.21 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.232 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.67 125.89 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.91 28.67 72.84 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.19 150.56 21.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 111.153 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.24 -3.52 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.36 44.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.0 -141.33 11.66 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -171.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.3 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 111.23 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.17 125.66 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 170.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.61 122.99 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 -169.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.89 0.95 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 mt -112.05 123.94 51.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 111.162 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.5 126.22 41.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.255 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 85.1 t -112.32 121.28 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 139.56 46.61 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.76 -149.76 25.97 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.26 119.92 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 111.248 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -176.145 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' R' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.809 0.338 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.61 123.11 34.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . 0.401 HD13 HD23 ' U' ' 17' ' ' LEU . 45.7 tp -129.42 118.49 22.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.209 176.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.48 128.8 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.42 121.03 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.156 -175.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.4 111.52 23.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.29 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.46 115.85 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 175.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.84 99.28 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.71 125.92 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -174.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 28.74 72.84 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -98.18 150.56 21.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 111.258 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -90.22 -3.57 57.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.37 44.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.97 -141.36 11.69 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -171.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.06 151.36 21.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.14 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.16 125.58 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.249 170.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.58 123.06 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -169.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.84 107.92 0.94 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 39.0 mt -112.09 123.94 51.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.196 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.52 126.24 41.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.3 121.36 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.98 139.58 46.44 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.71 -149.72 25.93 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.32 119.85 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 111.247 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.2 -1.534 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -176.162 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' S' S ' 15' ' ' GLN . . . . . 0.584 ' HA ' ' OE1' ' S' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.6 123.12 34.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.237 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.4 118.55 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.51 128.72 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.08 32.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.195 -175.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.53 24.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 173.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.34 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.56 115.96 31.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.83 99.25 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -128.73 125.98 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -174.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.7 72.84 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -98.24 150.56 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.176 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.19 -3.52 57.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.94 158.32 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.98 -141.39 11.71 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -171.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.06 151.38 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 111.182 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -118.19 125.64 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 170.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.67 122.98 70.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -169.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.81 107.94 0.95 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' V' ' 34' ' ' LEU . 39.1 mt -112.07 123.92 51.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.786 0.326 . . . . 0.0 111.188 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.48 126.2 41.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 83.6 t -112.25 121.22 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.83 139.53 46.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.73 -149.71 25.92 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 76.7 t -113.32 119.92 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 111.26 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 -176.122 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' T' T ' 15' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' T' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.55 123.05 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.236 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 45.4 tp -129.44 118.48 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 74.2 t -127.4 128.76 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.231 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.38 121.0 32.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.267 -175.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.37 111.49 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.22 106.3 14.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.204 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.55 115.9 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.22 175.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.82 99.25 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.253 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.69 125.92 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.84 28.68 72.88 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.2 150.55 21.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.233 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.13 -3.66 57.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.231 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.8 158.36 44.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.91 -141.36 11.71 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -171.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.08 151.31 21.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 111.218 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.12 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.231 170.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.57 123.05 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.247 -170.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.91 0.95 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.05 123.92 51.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 65.2 ttp -127.47 126.23 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 83.4 t -112.2 121.26 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.95 139.62 46.5 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.74 -149.72 25.93 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.28 119.9 61.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.773 0.321 . . . . 0.0 111.236 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -176.217 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' U' U ' 15' ' ' GLN . . . . . 0.596 ' HA ' ' OE1' ' U' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.809 0.338 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.5 123.06 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 17' ' ' LEU . . . . . 0.402 HD13 HD23 ' X' ' 17' ' ' LEU . 45.5 tp -129.36 118.5 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 176.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -127.5 128.72 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.218 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.35 120.99 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.36 111.52 23.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.264 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.3 106.28 14.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.5 115.95 31.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.89 99.3 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.8 125.89 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 -174.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.93 28.72 72.8 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.22 150.55 21.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.23 -3.6 57.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.93 158.4 44.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.02 -141.37 11.68 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -171.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.05 151.4 21.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.782 0.325 . . . . 0.0 111.229 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.18 125.62 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.63 123.0 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -169.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.71 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.14 123.96 51.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.353 . . . . 0.0 111.183 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.5 126.26 41.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.29 121.3 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 139.61 46.63 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.8 -149.66 25.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 77.3 t -113.29 119.88 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -176.179 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' V' V ' 15' ' ' GLN . . . . . 0.582 ' HA ' ' OE1' ' V' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.1 34.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.32 118.49 22.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 75.6 t -127.5 128.79 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.01 32.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.244 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.48 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.2 106.21 14.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.271 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.48 115.84 31.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.174 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.87 99.3 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.79 125.89 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.86 28.72 72.84 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.16 150.52 21.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.314 . . . . 0.0 111.205 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.26 -3.41 57.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.2 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.95 158.36 44.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.3 11.64 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -171.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.16 151.36 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.19 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 97.3 mt -118.18 125.64 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 170.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.64 122.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -169.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.74 107.95 0.95 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 34' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' Y' ' 34' ' ' LEU . 39.3 mt -112.08 123.91 51.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.229 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.49 126.23 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 83.3 t -112.24 121.28 64.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.211 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.88 139.6 46.61 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.78 -149.83 26.07 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.18 119.85 61.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 111.254 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -176.218 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' W' W ' 15' ' ' GLN . . . . . 0.597 ' HA ' ' OE1' ' W' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.728 0.299 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.61 123.09 34.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 tp -129.36 118.41 22.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 76.0 t -127.41 128.79 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.31 121.09 32.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.47 111.5 23.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 173.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.27 106.3 14.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.52 115.9 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.85 99.3 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.204 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.75 125.91 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.258 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.8 72.8 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.21 150.5 21.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.345 . . . . 0.0 111.172 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.16 -3.63 57.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.206 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.88 158.38 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.28 11.63 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.15 151.39 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.22 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.22 125.54 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 170.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.64 122.98 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.7 107.95 0.95 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 173.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.1 123.88 51.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.748 0.309 . . . . 0.0 111.209 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 65.0 ttp -127.42 126.29 42.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -112.33 121.3 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.64 46.61 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.72 -149.74 25.95 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 77.2 t -113.26 119.89 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 111.234 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -176.204 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' GLN . . . . . 0.593 ' HA ' ' OE1' ' X' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.48 123.1 35.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.402 HD23 HD13 ' U' ' 17' ' ' LEU . 45.7 tp -129.39 118.49 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 176.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -127.52 128.75 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 120.96 32.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.187 -175.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.32 111.44 23.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.264 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.21 106.26 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.229 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.44 115.91 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.94 99.26 5.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.72 125.93 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.21 -174.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.7 72.84 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.21 150.57 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.207 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -90.19 -3.57 57.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.88 158.41 44.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.05 -141.37 11.67 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -171.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.05 151.34 21.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 111.24 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.14 125.64 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.68 123.01 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 -169.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.76 107.88 0.95 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 173.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 mt -112.03 123.93 51.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 111.213 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 64.9 ttp -127.55 126.29 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -112.22 121.31 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.132 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.92 139.56 46.53 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.66 -149.74 25.96 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.29 119.92 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.201 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -176.228 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Y' Y ' 15' ' ' GLN . . . . . 0.581 ' HA ' ' OE1' ' Y' ' 15' ' ' GLN . 7.7 mm-40 . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.924 0.393 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.59 123.13 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 tp -129.46 118.41 22.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -127.38 128.72 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.237 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.39 121.0 32.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.48 111.6 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.28 106.27 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.47 115.88 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -126.85 99.27 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.76 125.94 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -174.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 28.74 72.84 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 173.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.11 150.56 21.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.192 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.25 -3.57 57.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.9 158.4 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.205 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.03 -141.33 11.65 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -171.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.09 151.39 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 111.273 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -118.19 125.63 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 170.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.67 123.07 70.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 107.98 0.95 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 34' ' ' LEU . . . . . 0.418 ' HB2' HD22 ' V' ' 34' ' ' LEU . 38.9 mt -112.11 123.91 51.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.334 . . . . 0.0 111.195 -178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.47 126.2 41.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.2 121.34 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.9 139.5 46.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.75 25.97 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 77.5 t -113.24 119.87 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.23 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.145 -176.172 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Z' Z ' 15' ' ' GLN . . . . . 0.595 ' HA ' ' OE1' ' Z' ' 15' ' ' GLN . 7.6 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.852 0.358 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -127.57 123.11 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -129.39 118.44 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.233 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -127.43 128.73 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.33 121.05 32.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.219 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.41 111.59 24.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.33 106.24 14.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.44 115.86 31.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.228 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.86 99.34 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.209 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -128.79 125.9 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 -174.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.81 28.73 72.86 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 31.9 t -98.14 150.62 21.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.737 0.303 . . . . 0.0 111.193 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.29 -3.55 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.89 158.38 44.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 -141.29 11.64 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -171.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.35 21.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -118.21 125.68 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 170.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.66 122.97 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.78 107.99 0.95 Allowed Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 mt -112.09 123.95 51.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.52 126.15 41.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.224 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.19 121.28 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.81 139.56 46.71 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.7 -149.77 25.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.27 119.93 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.272 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -176.112 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.82 0.343 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -127.56 123.13 35.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 tp -129.39 118.46 22.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.24 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.47 128.78 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -125.41 121.04 32.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -103.37 111.57 24.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.33 106.19 14.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -102.37 115.94 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -126.94 99.28 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 93.0 t -128.71 125.92 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.85 28.75 72.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 173.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -98.24 150.61 21.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 111.13 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.27 -3.55 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.166 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -135.86 158.37 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.95 -141.36 11.69 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -171.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.14 151.29 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.13 125.62 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.196 170.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.65 122.97 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.74 107.94 0.95 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.09 123.99 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.185 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 65.1 ttp -127.48 126.13 41.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.264 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.2 121.34 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.97 139.57 46.45 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.67 -149.72 25.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -113.33 119.88 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.196 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.255 -176.226 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.807 0.337 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.49 126.46 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.209 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.05 131.23 54.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.54 106.92 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.191 175.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.0 19.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -170.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.9 124.78 53.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 175.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.59 17.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.91 26.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.43 110.14 19.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.9 t -121.01 117.9 54.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 -172.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.72 3.15 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 170.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 t -136.92 147.58 46.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.191 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.97 -15.29 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.256 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -131.0 154.55 48.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.68 42.54 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.25 162.52 12.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.173 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.71 113.02 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.55 108.92 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.17 136.01 8.14 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.52 133.65 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 111.261 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.05 176.26 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 172.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -108.66 -61.22 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.175 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.81 25.38 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.29 16.12 65.22 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.26 153.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 111.226 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.213 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.44 126.33 22.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.91 131.22 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.63 106.82 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.22 111.03 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.216 -170.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.92 124.81 53.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.62 17.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.241 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.4 136.84 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.42 110.19 19.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 81.0 t -121.0 117.88 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.257 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.51 62.69 3.16 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.82 147.55 46.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.9 -15.5 58.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.82 154.67 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.67 42.51 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.23 162.64 12.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.345 . . . . 0.0 111.155 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -100.75 113.03 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.55 108.88 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 -173.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.07 8.18 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.441 HD13 HD23 ' E' ' 34' ' ' LEU . 39.6 tp -129.52 133.72 47.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 173.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.17 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -108.69 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.81 25.37 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.37 16.05 65.19 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -79.29 153.43 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.194 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.245 179.166 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.41 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.94 131.16 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -105.55 106.85 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.29 110.98 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 -170.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.96 124.87 53.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.157 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.64 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.88 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.219 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.47 110.25 19.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 83.9 t -121.05 117.98 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 -172.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.45 62.76 3.14 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.82 147.59 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 0.0 111.183 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.08 -15.32 58.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.88 154.63 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.65 42.49 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.68 12.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 0.0 111.229 -177.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.81 113.0 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.52 108.98 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.08 8.18 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.56 133.67 47.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 173.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.22 9.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -108.65 -61.17 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.19 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.27 -165.92 25.35 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.42 16.06 65.07 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -79.23 153.37 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 111.275 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.201 -1.484 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 179.183 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.779 0.323 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.48 126.32 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.249 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -107.94 131.31 54.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 68.8 t -105.71 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -116.34 111.05 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 -170.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.93 124.82 53.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.59 17.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.211 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.32 136.86 26.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.247 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.17 19.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 81.6 t -121.03 117.87 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 -172.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.57 62.73 3.13 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 170.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.86 147.54 46.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.749 0.309 . . . . 0.0 111.196 -175.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.04 -15.31 58.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.9 154.63 47.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.248 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.69 161.66 42.54 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.24 162.57 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 111.283 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -100.75 113.09 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.5 108.95 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.183 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.24 135.96 8.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.49 133.69 47.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 111.215 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.15 9.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.241 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.66 -61.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.26 -165.77 25.38 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.26 16.12 65.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.23 153.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 111.222 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--O 1.199 -1.561 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.181 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.356 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.38 22.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.232 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.93 131.25 54.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.6 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.34 111.0 19.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 -170.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.89 124.8 53.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.235 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.66 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.38 136.9 26.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.47 110.22 19.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 81.7 t -121.04 117.9 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -172.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.69 3.16 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 170.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.85 147.55 46.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.97 -15.44 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.155 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.85 154.68 47.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.212 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.73 161.66 42.45 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.63 12.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.263 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.69 113.03 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.56 108.89 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.2 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.03 8.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.443 HD13 HD23 ' H' ' 34' ' ' LEU . 39.2 tp -129.48 133.81 47.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 111.136 173.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.23 176.14 9.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.183 172.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 90.1 t -108.54 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.216 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.78 25.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.26 16.17 65.17 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.31 153.37 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 111.19 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.292 179.094 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.76 0.314 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.44 22.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.97 131.29 54.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -105.58 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.31 110.96 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 -170.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.86 124.86 53.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.202 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.59 16.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.201 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.92 26.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.46 110.1 19.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 82.2 t -120.93 117.97 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -172.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.43 62.76 3.14 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.55 46.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 0.0 111.218 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.31 58.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.9 154.66 47.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.69 42.54 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.58 12.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.749 0.309 . . . . 0.0 111.261 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.68 112.99 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.55 108.96 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 -173.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.46 133.67 47.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 111.2 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.07 176.18 9.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.259 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.65 -61.19 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.25 -165.87 25.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.03 65.27 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.17 153.45 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 111.233 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.212 179.14 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.749 0.309 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.44 126.42 22.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.98 131.22 54.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 69.4 t -105.59 106.77 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 175.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.24 110.93 19.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.86 124.82 53.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.244 175.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.79 125.63 17.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.236 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.41 136.91 26.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.45 110.21 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -121.06 118.02 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.41 62.7 3.17 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 170.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.79 147.59 46.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 111.254 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.38 58.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.8 154.65 47.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.74 161.74 42.51 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.6 12.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.185 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.75 113.04 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 -173.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.29 135.95 8.09 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.5 133.71 47.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 111.209 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.06 176.19 9.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.67 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.22 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.76 25.38 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.34 16.04 65.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.22 153.33 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.203 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.49 126.41 22.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.01 131.31 54.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -105.66 106.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.27 110.99 19.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.93 124.77 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.59 17.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.256 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.36 136.93 26.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.47 110.17 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 82.8 t -120.96 117.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.51 62.69 3.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 170.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.89 147.62 46.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 111.123 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.09 -15.3 58.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.234 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.87 154.62 47.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.74 42.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.56 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 111.206 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.72 113.08 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.56 108.99 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.95 8.09 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.443 HD23 HD13 ' E' ' 34' ' ' LEU . 39.3 tp -129.48 133.74 47.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 111.183 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.16 176.12 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 172.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 88.6 t -108.6 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.33 -165.79 25.39 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.09 65.2 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.25 153.38 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.322 . . . . 0.0 111.192 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--O 1.2 -1.55 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 179.14 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.737 0.303 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.52 126.39 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.24 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.91 131.25 54.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -105.64 106.77 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.19 111.03 19.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.268 -170.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.97 124.84 53.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.64 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.9 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.46 110.14 19.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 82.1 t -120.99 117.88 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.233 -172.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.62 62.73 3.12 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 170.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.92 147.55 46.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 -175.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.01 -15.44 58.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.85 154.67 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.66 161.7 42.63 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.29 162.67 12.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 0.0 111.24 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -100.72 112.96 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.276 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 -173.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.0 8.13 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.45 133.63 47.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 111.263 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.08 176.17 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.257 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.57 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.21 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.79 25.38 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.04 65.23 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.18 153.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 111.206 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.155 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.42 126.4 22.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.238 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.97 131.29 54.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.68 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.19 110.92 19.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.239 -170.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.88 124.83 53.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.228 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.78 125.61 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 174.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.4 136.89 26.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.205 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.46 110.21 19.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 81.3 t -121.02 117.88 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -172.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.82 3.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.9 147.6 46.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.759 0.314 . . . . 0.0 111.223 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.05 -15.37 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.6 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.65 161.74 42.69 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.33 162.54 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.179 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.1 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.56 108.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 -173.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.07 8.17 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.61 133.67 47.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.197 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.23 9.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 172.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -108.66 -61.3 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.35 -165.84 25.39 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.38 16.05 65.16 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -79.22 153.4 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 111.187 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.191 179.163 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.853 0.359 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.35 22.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.91 131.28 54.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.265 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -105.62 106.87 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.06 19.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -170.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -111.99 124.84 53.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.55 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.281 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.28 136.92 26.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.178 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.44 110.14 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.97 117.88 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 -172.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.8 3.12 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.9 147.61 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 111.182 -175.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.07 -15.38 58.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.61 47.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.64 42.51 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.61 12.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.76 113.06 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.57 108.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 -173.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.05 8.16 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.441 HD23 HD13 ' H' ' 34' ' ' LEU . 39.4 tp -129.55 133.7 47.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.186 173.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.11 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.64 -61.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.251 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.22 -165.82 25.36 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.32 16.08 65.24 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.22 153.39 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.181 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.2 -1.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.144 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.783 0.325 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.54 126.41 22.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.224 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 46.2 mt -107.94 131.27 54.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.199 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 68.1 t -105.66 106.94 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.38 110.92 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.205 -170.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.83 124.8 53.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.229 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 125.56 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 174.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.29 136.88 26.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -113.51 110.18 19.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 80.1 t -120.94 117.86 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 -172.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.81 3.11 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -136.95 147.57 46.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 111.138 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.36 58.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.88 154.72 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.233 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.7 42.55 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.36 162.54 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.06 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.53 108.94 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -173.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.23 136.04 8.16 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 39.4 tp -129.52 133.72 47.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 111.172 173.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.17 176.17 9.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 172.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.7 -61.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.21 -165.84 25.35 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.28 16.16 65.16 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.28 153.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.137 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.855 0.36 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.32 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.232 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.91 131.17 54.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.197 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -105.59 106.92 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.39 111.08 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -170.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -111.91 124.92 53.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.201 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.89 125.63 16.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 174.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.37 136.92 26.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.53 110.17 19.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 81.2 t -120.96 117.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.55 62.68 3.15 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.84 147.55 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 111.23 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.9 -15.48 58.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.252 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.85 154.6 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.212 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.68 161.7 42.6 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.66 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.138 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.78 113.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.58 108.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.213 -173.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 135.97 8.11 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.49 133.75 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 111.097 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.14 176.25 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.74 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.29 -165.83 25.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.01 65.36 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.21 153.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.212 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.2 -1.548 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.226 179.165 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.777 0.323 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.41 126.35 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.97 131.36 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.6 106.85 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 175.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.31 111.07 19.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -170.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.98 124.88 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.92 125.67 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 173.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.39 136.91 26.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.204 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.53 110.25 19.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.207 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 81.4 t -120.99 117.97 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.213 -172.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.71 3.16 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.86 147.51 46.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 -175.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.97 -15.36 58.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.91 154.59 47.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.73 42.72 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 162.61 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -177.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.76 113.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.58 108.86 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -173.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.18 136.08 8.18 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.438 HD23 HD13 ' K' ' 34' ' ' LEU . 39.5 tp -129.54 133.63 47.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 173.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.09 176.23 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 172.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.66 -61.2 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.83 25.36 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.09 65.13 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.25 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.167 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.83 0.348 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.45 126.4 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.9 131.15 54.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -105.51 106.82 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 175.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.26 111.06 19.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.211 -170.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -111.97 124.82 53.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.69 17.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.4 136.85 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.228 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.45 110.15 19.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.192 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.0 117.9 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -172.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.52 62.63 3.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 170.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.55 46.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.235 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.98 -15.47 58.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.8 154.63 47.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.267 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.73 42.69 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.63 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.821 0.344 . . . . 0.0 111.199 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.83 113.09 35.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -118.61 109.05 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.32 135.98 8.11 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.47 133.73 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 0.0 111.196 173.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.16 176.2 9.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -108.64 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.23 -165.91 25.34 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.37 16.18 64.92 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.33 153.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.205 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.2 -1.502 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 179.179 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.34 22.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.92 131.26 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.25 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.65 106.87 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.37 111.06 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -170.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -111.91 124.82 53.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.224 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.78 125.73 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.191 173.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.43 136.87 26.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.45 110.21 19.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.04 117.95 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.44 62.78 3.14 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.87 147.57 46.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.4 58.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.202 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.92 154.67 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.64 161.65 42.64 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.29 162.63 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.718 0.294 . . . . 0.0 111.218 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.7 113.08 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.56 108.87 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.51 133.69 47.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.196 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.17 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -108.67 -61.11 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.19 -165.85 25.34 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.41 16.09 65.03 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.31 153.35 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.791 0.329 . . . . 0.0 111.183 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--O 1.201 -1.449 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.787 0.327 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.36 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.94 131.24 54.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.276 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 67.1 t -105.55 106.73 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.23 110.91 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 -170.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -111.86 124.81 53.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.231 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.65 17.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.274 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.41 136.86 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.217 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.14 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 82.7 t -120.93 117.91 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 -172.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.81 3.12 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 170.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.86 147.53 46.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.774 0.321 . . . . 0.0 111.18 -175.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.95 -15.5 58.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.78 154.61 47.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.23 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.62 161.74 42.76 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.61 12.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.321 . . . . 0.0 111.222 -177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.74 113.07 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.202 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.57 108.86 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.239 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.26 135.95 8.1 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . 0.439 HD13 HD23 ' T' ' 34' ' ' LEU . 39.4 tp -129.49 133.73 47.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 173.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.2 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.176 172.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 89.4 t -108.69 -61.03 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.251 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.16 -165.83 25.34 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.34 16.06 65.24 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.29 153.41 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.855 0.359 . . . . 0.0 111.206 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.246 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.38 22.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -107.95 131.19 54.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.55 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.26 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.26 110.98 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 -170.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.94 124.89 53.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 125.64 17.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 174.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.34 136.85 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.4 110.15 19.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.03 117.95 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.183 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.44 62.73 3.15 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.88 147.59 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -78.92 -15.46 58.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.193 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.86 154.72 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.85 161.73 42.29 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.61 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -100.65 113.04 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.55 108.97 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -173.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.21 135.98 8.12 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.49 133.66 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 111.215 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.13 176.18 9.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 172.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 89.5 t -108.65 -61.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.24 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.32 -165.8 25.39 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.31 16.08 65.25 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.24 153.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 111.107 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.201 -1.454 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.238 179.075 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.44 22.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . . . . . . . . . 46.1 mt -108.02 131.2 54.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -105.58 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 19' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -116.32 110.99 19.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -170.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.93 124.78 53.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.227 175.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.77 125.7 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 173.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.37 136.89 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.41 110.07 19.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . . . . . . . . . 81.9 t -120.92 117.86 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.249 -172.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.73 3.14 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 170.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 26' ' ' SER . . . . . . . . . . . . . 39.6 t -136.84 147.58 46.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.147 -175.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.39 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.6 47.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.212 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.59 161.65 42.73 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.63 12.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.76 113.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 175.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.51 108.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.01 8.13 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.47 133.7 47.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 111.198 173.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.25 9.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.68 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.24 -165.86 25.35 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.14 65.03 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.28 153.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.199 -1.581 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.211 179.111 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' T' T ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.57 126.41 22.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.99 131.35 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.67 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.26 111.05 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 -170.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -111.96 124.82 53.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.271 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.81 125.61 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.21 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.36 136.89 26.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.42 110.15 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 24' ' ' VAL . . . . . . . . . . . . . 82.5 t -121.01 117.89 54.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -172.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.47 62.71 3.16 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.79 147.66 46.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.1 -15.37 58.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.84 154.63 47.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.7 161.71 42.56 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.55 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 0.0 111.153 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 31' ' ' ILE . . . . . . . . . . . . . 82.1 mt -100.74 113.08 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.186 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.52 108.94 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.212 -173.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.26 135.98 8.11 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 34' ' ' LEU . . . . . 0.445 HD13 HD23 ' W' ' 34' ' ' LEU . 39.2 tp -129.56 133.69 47.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 0.0 111.181 173.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.05 176.23 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 172.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.65 -61.21 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.246 174.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.86 25.36 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.35 16.22 64.87 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.31 153.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 111.155 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 40' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 179.124 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.849 0.357 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' U' U ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.51 126.42 22.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.04 131.26 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 18' ' ' VAL . . . . . . . . . . . . . 67.5 t -105.59 106.79 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.206 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.23 111.02 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 -170.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.97 124.85 53.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.87 125.6 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 174.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.33 136.83 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -113.39 110.11 19.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.243 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 24' ' ' VAL . . . . . . . . . . . . . 82.3 t -120.95 117.92 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.4 62.81 3.13 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.89 147.6 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.733 0.301 . . . . 0.0 111.199 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.97 -15.43 58.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.86 154.69 47.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.71 42.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 162.65 12.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.75 0.309 . . . . 0.0 111.187 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -100.75 113.0 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.263 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.46 108.94 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.245 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.31 136.01 8.12 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -129.49 133.69 47.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.321 . . . . 0.0 111.218 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.11 176.15 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.209 172.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.59 -61.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.249 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.27 -165.81 25.37 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.32 16.12 65.14 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -79.26 153.38 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.2 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 40' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 179.174 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' V' V ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.5 126.4 22.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.94 131.24 54.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 18' ' ' VAL . . . . . . . . . . . . . 68.2 t -105.61 106.81 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.21 111.05 19.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.238 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -112.01 124.85 53.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.247 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.81 125.61 17.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.223 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.35 136.92 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.48 110.15 19.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -120.94 117.91 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.206 -172.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 62.63 3.18 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 170.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.8 147.62 46.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 111.2 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.02 -15.34 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.91 154.67 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.71 161.7 42.54 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 162.55 12.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.74 113.07 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.52 108.9 25.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 -173.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.29 135.96 8.1 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -129.43 133.68 47.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.209 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.08 176.17 9.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.61 -61.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.31 -165.83 25.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.36 16.04 65.22 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -79.25 153.39 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 0.0 111.187 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' V' V ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.135 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.841 0.353 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' W' W ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.41 126.39 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 17' ' ' LEU . . . . . . . . . . . . . 45.5 mt -107.99 131.24 54.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 18' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.66 106.91 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.34 111.02 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -111.96 124.79 53.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.66 17.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.35 136.92 26.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 23' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -113.48 110.12 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.25 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 24' ' ' VAL . . . . . . . . . . . . . 82.3 t -120.96 117.93 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -172.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.79 3.13 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 170.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.82 147.58 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 111.185 -175.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.06 -15.39 58.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.88 154.61 47.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.72 161.73 42.56 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.24 162.62 12.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 111.194 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -100.82 113.04 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.54 108.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.27 135.99 8.12 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 34' ' ' LEU . . . . . 0.449 HD13 HD23 ' Z' ' 34' ' ' LEU . 39.4 tp -129.48 133.73 47.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.768 0.318 . . . . 0.0 111.186 173.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.18 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 172.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.65 -61.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.26 -165.84 25.36 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.43 16.04 65.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.25 153.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 111.188 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 40' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.201 -1.452 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.329 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.43 126.34 22.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.257 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 mt -107.93 131.18 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.195 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -105.57 106.83 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.207 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.27 111.05 19.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -111.96 124.82 53.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.242 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.62 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.32 136.85 26.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.41 110.16 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.238 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -121.0 117.95 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -172.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.55 62.69 3.15 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 170.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -136.84 147.61 46.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 111.24 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.02 -15.39 58.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.23 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.89 154.62 47.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.67 161.71 42.62 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.26 162.6 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.233 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -100.7 113.03 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.246 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.54 108.92 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.22 136.05 8.16 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -129.56 133.69 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.204 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.15 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 172.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -108.65 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.29 -165.82 25.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.3 16.17 65.08 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.28 153.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.201 -1.465 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 179.069 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.804 0.335 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Y' Y ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.42 126.36 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -107.95 131.23 54.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -105.56 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 175.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -116.28 111.02 19.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -112.01 124.84 53.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 175.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.8 125.62 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 173.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -144.38 136.98 26.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.6 110.17 19.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 82.7 t -121.01 117.97 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -172.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.39 62.73 3.16 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.84 147.59 46.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 111.214 -175.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.99 -15.39 58.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.61 47.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.66 161.69 42.64 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.35 162.58 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 31' ' ' ILE . . . . . . . . . . . . . 81.9 mt -100.73 113.01 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.245 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.55 108.99 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -173.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 136.05 8.16 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -129.52 133.74 47.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.741 0.305 . . . . 0.0 111.252 173.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.12 176.19 9.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.6 -61.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.195 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.8 25.38 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.27 16.16 65.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.32 153.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.202 -1.442 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.182 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.332 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Z' Z ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.52 126.41 22.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -107.97 131.2 54.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -105.57 106.78 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.265 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 19' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -116.24 111.02 19.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -170.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -111.95 124.88 53.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 175.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.82 125.6 17.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -144.43 136.89 26.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.45 110.25 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.2 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 24' ' ' VAL . . . . . . . . . . . . . 80.7 t -121.01 117.94 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.29 -172.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.49 62.74 3.14 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t -136.83 147.64 46.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.784 0.326 . . . . 0.0 111.203 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -79.04 -15.36 58.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.201 175.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -130.9 154.69 47.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.222 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.75 161.76 42.52 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.33 162.59 12.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.246 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -100.71 113.06 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -118.57 108.89 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.16 136.01 8.14 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 34' ' ' LEU . . . . . 0.449 HD23 HD13 ' W' ' 34' ' ' LEU . 39.3 tp -129.53 133.68 47.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 173.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Z' Z ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.09 176.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.204 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -108.68 -61.19 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.3 -165.78 25.39 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.25 16.18 65.17 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.27 153.45 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Z' Z ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.141 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.824 0.345 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' a' a ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -138.46 126.37 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.272 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 17' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.02 131.29 54.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 18' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.63 106.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -116.22 111.01 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.221 -170.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -111.96 124.79 53.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.67 125.63 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.247 173.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 22' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -144.4 136.89 26.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 23' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -113.48 110.22 19.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 24' ' ' VAL . . . . . . . . . . . . . 81.3 t -120.98 117.96 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.222 -172.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.46 62.76 3.14 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 170.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -136.87 147.6 46.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 27' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.07 -15.33 58.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -130.93 154.61 47.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.6 161.7 42.75 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.22 162.6 12.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.265 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 31' ' ' ILE . . . . . . . . . . . . . 82.2 mt -100.75 113.05 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 83.8 mt -118.55 108.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.205 -173.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.25 136.0 8.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -129.52 133.75 47.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 111.156 173.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ptm -144.14 176.2 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 172.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 36' ' ' VAL . . . . . . . . . . . . . 89.6 t -108.66 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.21 -165.79 25.36 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 16.1 65.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.23 153.41 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 0.0 111.16 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' a' a ' 40' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.104 . . . . . . . . 0 0 . 1 stop_ save_